CMAUP Plant Ingredients

16 Known Ingredients in Total

Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.

16 Ingredients with Available Activity

Unique ingredients have activity data available.

Ingredient Structrual Cards

Ingredient ID: NPC67246
Formula: C45H53NO14

Common Name	Cephalomannine
IUPAC Name	n.a.
Canonical SMILES	C/C=C(/C(=N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@@H]([C@]3(C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)C)O)OC(=O)C)O)c1ccccc1)O)C
Standard InCHI	InChI=1S/C45H53NO14/c1-9-23(2)39(52)46-33(27-16-12-10-13-17-27)34(50)41(54)58-29-21-45(55)38(59-40(53)28-18-14-11-15-19-28)36-43(8,30(49)20-31-44(36,22-56-31)60-26(5)48)37(51)35(57-25(4)47)32(24(29)3)42(45,6)7/h9-19,29-31,33-36,38,49-50,55H,20-22H2,1-8H3,(H,46,52)/b23-9+/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
Standard InCHIKey	DBXFAPJCZABTDR-WBYYIXQISA-N
Ingredient External Links	PubChem CID: 6436208 ZINC ID: ZINC000094303206 ChEMBL ID: CHEMBL305522
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC67246]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Cephalotaxus hainanensis	Cephalotaxus	Taxaceae
Taxus wallichiana	Taxus	Taxaceae
Taxus mairei	Taxus	Taxaceae
Taxus cuspidata	Taxus	Taxaceae
Taxus brevifolia	Taxus	Taxaceae
Taxus yunnanensis	Taxus	Taxaceae
Taxus baccata	Taxus	Taxaceae

Ingredient ID: NPC473670
Formula: C35H42O14

Common Name	Taxinine M
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@@H]1C2CC(=O)[C@@]3([C@]([C@]2(C)CO3)(O)[C@H]([C@@H]([C@]2([C@H]1C(=C)[C@@H](O)C[C@@H]2OC(=O)C)COC(=O)c1ccccc1)OC(=O)C)OC(=O)C)C
Standard InCHI	InChI=1S/C35H42O14/c1-17-24(40)14-26(46-18(2)36)34(16-44-31(42)22-11-9-8-10-12-22)27(17)28(47-19(3)37)23-13-25(41)33(7)35(43,32(23,6)15-45-33)30(49-21(5)39)29(34)48-20(4)38/h8-12,23-24,26-30,40,43H,1,13-16H2,2-7H3/t23?,24-,26-,27-,28+,29-,30-,32+,33+,34+,35-/m0/s1
Standard InCHIKey	YGDMNNDIKAOMNZ-BNOVIZBYSA-N
Ingredient External Links	PubChem CID: 44576028 ChEMBL ID: CHEMBL448698
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC473670]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Taxus mairei	Taxus	Taxaceae

Ingredient ID: NPC472393
Formula: C43H48O14

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@H]1[C@@H]2C(=C)[C@@H](OC/C=C/c3ccccc3)C[C@@H]([C@@]2(OC(=O)c2ccccc2)[C@@H](OC(=O)C)[C@@H]([C@@]2([C@]3([C@H]1CC(=O)[C@]2(OC3)C)C)O)OC(=O)C)OC(=O)C
Standard InCHI	InChI=1S/C43H48O14/c1-24-32(51-20-14-17-29-15-10-8-11-16-29)22-34(53-25(2)44)42(57-39(49)30-18-12-9-13-19-30)35(24)36(54-26(3)45)31-21-33(48)41(7)43(50,40(31,6)23-52-41)38(56-28(5)47)37(42)55-27(4)46/h8-19,31-32,34-38,50H,1,20-23H2,2-7H3/b17-14+/t31-,32-,34-,35-,36+,37-,38-,40+,41+,42-,43-/m0/s1
Standard InCHIKey	TUJWWEPVYORFJP-YWBUYCSRSA-N
Ingredient External Links	ChEMBL ID: CHEMBL3398371
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC472393]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Taxus mairei	Taxus	Taxaceae

Ingredient ID: NPC472392
Formula: C48H59NO17

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C/C=C(/C(=N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](C(=O)[C@@H](C(=C1C)C2(C)C)O)(C)[C@@H](O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C[C@@H]1[C@]3(CO1)OC(=O)C)O)c1ccccc1)O)C
Standard InCHI	InChI=1S/C48H59NO17/c1-8-23(2)41(57)49-33(26-15-11-9-12-16-26)36(54)43(59)63-29-20-48(60)40(65-42(58)27-17-13-10-14-18-27)38-46(7,39(56)35(53)32(24(29)3)45(48,5)6)30(19-31-47(38,22-62-31)66-25(4)50)64-44-37(55)34(52)28(51)21-61-44/h8-18,28-31,33-38,40,44,51-55,60H,19-22H2,1-7H3,(H,49,57)/b23-8+/t28-,29+,30+,31-,33+,34+,35-,36-,37-,38+,40+,44+,46-,47+,48-/m1/s1
Standard InCHIKey	YAOWLIDDDUBAEI-ZVZSAYPQSA-N
Ingredient External Links	ChEMBL ID: CHEMBL3398370
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC472392]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Taxus mairei	Taxus	Taxaceae

Ingredient ID: NPC472391
Formula: C50H61NO18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	C/C=C(/C(=N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](C(=O)[C@@H](C(=C1C)C2(C)C)OC(=O)C)(C)[C@@H](O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C[C@@H]1[C@]3(CO1)OC(=O)C)O)c1ccccc1)O)C
Standard InCHI	InChI=1S/C50H61NO18/c1-9-24(2)43(59)51-35(28-16-12-10-13-17-28)37(56)45(61)66-31-21-50(62)42(68-44(60)29-18-14-11-15-19-29)40-48(8,41(58)39(65-26(4)52)34(25(31)3)47(50,6)7)32(20-33-49(40,23-64-33)69-27(5)53)67-46-38(57)36(55)30(54)22-63-46/h9-19,30-33,35-40,42,46,54-57,62H,20-23H2,1-8H3,(H,51,59)/b24-9+/t30-,31+,32+,33-,35+,36+,37-,38-,39-,40+,42+,46+,48-,49+,50-/m1/s1
Standard InCHIKey	HWPZOSPUENCAFV-OYZFOJEVSA-N
Ingredient External Links	ChEMBL ID: CHEMBL3398368
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC472391]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Taxus mairei	Taxus	Taxaceae

Ingredient ID: NPC472390
Formula: C32H48O13

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	OC[C@H]1O[C@@H](O[C@H]2C[C@H](OC(=O)C)[C@@]3([C@@H](C2=C)C[C@@H]2C[C@@H](C(=C([C@H]([C@@H]3OC(=O)C)OC(=O)C)C2(C)C)C)O)C)[C@@H]([C@H]([C@@H]1O)O)O
Standard InCHI	InChI=1S/C32H48O13/c1-13-19-9-18-10-20(37)14(2)24(31(18,6)7)28(42-16(4)35)29(43-17(5)36)32(19,8)23(41-15(3)34)11-21(13)44-30-27(40)26(39)25(38)22(12-33)45-30/h18-23,25-30,33,37-40H,1,9-12H2,2-8H3/t18-,19-,20+,21+,22-,23+,25-,26+,27-,28-,29+,30-,32+/m1/s1
Standard InCHIKey	UAOMMZHRIKORJP-FLASEUCYSA-N
Ingredient External Links	ChEMBL ID: CHEMBL3398366
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC472390]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Taxus mairei	Taxus	Taxaceae

Ingredient ID: NPC472375
Formula: C49H63NO17

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CCCCCC(=N[C@H]([C@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](C(=O)[C@@H](C(=C1C)C2(C)C)O)(C)[C@@H](O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C[C@@H]1[C@]3(CO1)OC(=O)C)O)c1ccccc1)O
Standard InCHI	InChI=1S/C49H63NO17/c1-7-8-11-20-33(53)50-35(27-16-12-9-13-17-27)38(56)44(60)64-30-22-49(61)42(66-43(59)28-18-14-10-15-19-28)40-47(6,41(58)37(55)34(25(30)2)46(49,4)5)31(21-32-48(40,24-63-32)67-26(3)51)65-45-39(57)36(54)29(52)23-62-45/h9-10,12-19,29-32,35-40,42,45,52,54-57,61H,7-8,11,20-24H2,1-6H3,(H,50,53)/t29-,30+,31+,32-,35+,36+,37-,38-,39-,40+,42+,45+,47-,48+,49-/m1/s1
Standard InCHIKey	XGWGQEYABFGJID-UVDBIDMBSA-N
Ingredient External Links	PubChem CID: 15222314 ChEMBL ID: CHEMBL3397058
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC472375]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Taxus mairei	Taxus	Taxaceae

Ingredient ID: NPC471623
Formula: C45H55NO15

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)N=C(OC(C)(C)C)O)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
Standard InCHI	InChI=1S/C45H55NO15/c1-23-28(58-39(53)33(50)32(26-16-12-10-13-17-26)46-40(54)61-41(4,5)6)21-45(55)37(59-38(52)27-18-14-11-15-19-27)35-43(9,29(49)20-30-44(35,22-56-30)60-25(3)48)36(51)34(57-24(2)47)31(23)42(45,7)8/h10-19,28-30,32-35,37,49-50,55H,20-22H2,1-9H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
Standard InCHIKey	LEMYAXKYCOBYOJ-OAGWZNDDSA-N
Ingredient External Links	PubChem CID: 147895 ZINC ID: ZINC000169302875 ChEMBL ID: CHEMBL302290
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC471623]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Taxus mairei	Taxus	Taxaceae

Ingredient ID: NPC300827
Formula: C37H46O10

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=C)[C@@H]2[C@]1(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C1=C([C@H](C[C@@H](C2)C1(C)C)OC(=O)C)C
Standard InCHI	InChI=1S/C37H46O10/c1-20-28-17-27-18-29(43-22(3)38)21(2)33(36(27,7)8)34(45-24(5)40)35(46-25(6)41)37(28,9)31(44-23(4)39)19-30(20)47-32(42)16-15-26-13-11-10-12-14-26/h10-16,27-31,34-35H,1,17-19H2,2-9H3/b16-15+/t27-,28-,29+,30+,31+,34-,35+,37+/m1/s1
Standard InCHIKey	MIJTXBNFQDJTPL-PXORYUGNSA-N
Ingredient External Links	PubChem CID: 14192854 ZINC ID: ZINC000150338838 ChEMBL ID: CHEMBL77199
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC300827]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Taxus mairei	Taxus	Taxaceae
Taxus cuspidata	Taxus	Taxaceae
Taxus yunnanensis	Taxus	Taxaceae

Ingredient ID: NPC289383
Formula: C50H57NO17

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)N=C(c3ccccc3)O)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Standard InCHI	InChI=1S/C50H57NO17/c1-25-31(65-45(61)38(56)35(27-15-9-6-10-16-27)51-43(59)28-17-11-7-12-18-28)22-50(62)42(67-44(60)29-19-13-8-14-20-29)40-48(5,41(58)37(55)34(25)47(50,3)4)32(21-33-49(40,24-64-33)68-26(2)52)66-46-39(57)36(54)30(53)23-63-46/h6-20,30-33,35-40,42,46,53-57,62H,21-24H2,1-5H3,(H,51,59)/t30-,31+,32+,33-,35+,36+,37-,38-,39-,40+,42+,46+,48-,49+,50-/m1/s1
Standard InCHIKey	ORKLEZFXASNLFJ-DYLQFHMVSA-N
Ingredient External Links	PubChem CID: 9811678 ZINC ID: ZINC000253387922 ChEMBL ID: CHEMBL3398367
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC289383]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Taxus mairei	Taxus	Taxaceae

Ingredient ID: NPC260194
Formula: C39H53NO10

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	O=C(C[C@H](c1ccccc1)N(C)C)O[C@H]1C[C@H](OC(=O)C)[C@@]2([C@@H](C1=C)C[C@@H]1C[C@@H](C(=C([C@H]([C@@H]2OC(=O)C)OC(=O)C)C1(C)C)C)OC(=O)C)C
Standard InCHI	InChI=1S/C39H53NO10/c1-21-29-17-28-18-31(46-23(3)41)22(2)35(38(28,7)8)36(48-25(5)43)37(49-26(6)44)39(29,9)33(47-24(4)42)20-32(21)50-34(45)19-30(40(10)11)27-15-13-12-14-16-27/h12-16,28-33,36-37H,1,17-20H2,2-11H3/t28-,29-,30-,31+,32+,33+,36-,37+,39+/m1/s1
Standard InCHIKey	NNPJVZHKKMTATL-PUWMNHPMSA-N
Ingredient External Links	PubChem CID: 14446180 ZINC ID: ZINC000150353330 ChEMBL ID: CHEMBL445031
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC260194]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Taxus wallichiana	Taxus	Taxaceae
Taxus mairei	Taxus	Taxaceae
Taxus cuspidata	Taxus	Taxaceae

Ingredient ID: NPC215892
Formula: C45H49NO13

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@@]12CO[C@@H]1C[C@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@@H]([C@H](c3ccccc3)N=C(c3ccccc3)O)O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O
Standard InCHI	InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30+,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
Standard InCHIKey	TYLVGQKNNUHXIP-DIYBZAJCSA-N
Ingredient External Links	PubChem CID: 14355298 ZINC ID: ZINC000094303279 ChEMBL ID: CHEMBL500852
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC215892]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Taxus wallichiana	Taxus	Taxaceae
Taxus mairei	Taxus	Taxaceae
Taxus cuspidata	Taxus	Taxaceae

Ingredient ID: NPC208553
Formula: C47H51NO14

Common Name	Paclitaxel
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)N=C(c1ccccc1)O)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
Standard InCHI	InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1
Standard InCHIKey	RCINICONZNJXQF-MZXODVADSA-N
Ingredient External Links	PubChem CID: 36314 ZINC ID: ZINC000096006020 ChEMBL ID: CHEMBL428647
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC208553]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Torreya nuncifera	Torreya	Taxaceae
Torreya grandis	Torreya	Taxaceae
Punica granatum	Punica	Lythraceae
Taxus wallichiana	Taxus	Taxaceae
Taxus mairei	Taxus	Taxaceae
Taxus cuspidata	Taxus	Taxaceae
Taxus brevifolia	Taxus	Taxaceae

Ingredient ID: NPC134685
Formula: C29H36O10

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@@]12CO[C@@H]1C[C@@H]([C@@]1([C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(=C(C2(C)C)[C@H](C1=O)O)C)C)O
Standard InCHI	InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1
Standard InCHIKey	YWLXLRUDGLRYDR-ZHPRIASZSA-N
Ingredient External Links	PubChem CID: 154272 ZINC ID: ZINC000004102178 ChEMBL ID: CHEMBL393912
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC134685]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Taxus mairei	Taxus	Taxaceae
Taxus brevifolia	Taxus	Taxaceae

Ingredient ID: NPC116862
Formula: C52H59NO18

Common Name	n.a.
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](OC(=O)[C@@H]([C@H](c1ccccc1)N=C(c1ccccc1)O)O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
Standard InCHI	InChI=1S/C52H59NO18/c1-26-33(68-47(63)39(58)37(29-16-10-7-11-17-29)53-45(61)30-18-12-8-13-19-30)23-52(64)44(70-46(62)31-20-14-9-15-21-31)42-50(6,43(60)41(67-27(2)54)36(26)49(52,4)5)34(22-35-51(42,25-66-35)71-28(3)55)69-48-40(59)38(57)32(56)24-65-48/h7-21,32-35,37-42,44,48,56-59,64H,22-25H2,1-6H3,(H,53,61)/t32-,33+,34+,35-,37+,38+,39-,40-,41-,42+,44+,48+,50-,51+,52-/m1/s1
Standard InCHIKey	ZVEGOBHUZTXSFK-TZIKQHFSSA-N
Ingredient External Links	PubChem CID: 11094265 ChEMBL ID: CHEMBL3398369
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC116862]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family	Plant Usage
Taxus mairei	Taxus	Taxaceae
Taxus baccata	Taxus	Taxaceae

Ingredient ID: NPC114357
Formula: C31H38O11

Common Name	Baccatin Iii
IUPAC Name	n.a.
Canonical SMILES	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@@H]3[C@]([C@H]2[C@@H]([C@]2(C(C1=C(C)[C@@H](O)C2)(C)C)O)OC(=O)c1ccccc1)(CO3)OC(=O)C
Standard InCHI	InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20-,21+,23+,24-,26-,29+,30-,31+/m0/s1
Standard InCHIKey	OVMSOCFBDVBLFW-VHLOTGQHSA-N
Ingredient External Links	PubChem CID: 65366 ZINC ID: ZINC000004102268 ChEMBL ID: CHEMBL288043
Plant-Ingredient Association Reference	PMID: 25682561 Database: NPASS [NPC114357]

Distribution of the ingredient across plants

Plant Name	Plant Genus	Plant Family
Taxus mairei	Taxus	Taxaceae
Taxus cuspidata	Taxus	Taxaceae
Taxus yunnanensis	Taxus	Taxaceae
Taxus baccata	Taxus	Taxaceae

Properties

Ingredient ID	Formulae	Name	MW	AlogP	MlogP	XlogP	# HBA	# HBD	PSA	# Rotatable Bond	# Ring	# Heacy Atom	Lipinski RO5 Violation
NPC114357	C31H38O11	Baccatin Iii	586.24	-1.1309	3.66	1.155	11	3	165.89	16	5	42	1
NPC116862	C52H59NO18		985.37	-2.8594	5.09	5.771	19	6	283.7	28	8	71	4
NPC134685	C29H36O10		544.23	-1.51	3.55	0.844	10	4	159.82	14	5	39	0
NPC208553	C47H51NO14	Paclitaxel	853.33	-1.6232	4.98	6.636	15	4	224.78	24	7	62	3
NPC215892	C45H49NO13		811.32	-2.0023	4.87	6.325	14	5	218.71	22	7	59	3
NPC260194	C39H53NO10		695.37	1.5442	4.54	6.104	11	0	134.74	24	4	50	3
NPC289383	C50H57NO17		943.36	-3.2385	4.98	5.46	18	7	277.63	26	8	68	4
NPC300827	C37H46O10		650.31	1.7031	4.43	7.46	10	0	131.5	20	4	47	2
NPC471623	C45H55NO15		849.36	-0.0388	4.65	5.361	16	4	234.01	28	6	61	3
NPC472375	C49H63NO17		937.41	-4.0164	4.87	4.674	18	7	277.63	30	7	67	3
NPC472390	C32H48O13		640.31	-1.1532	3.55	0.888	13	5	198.51	21	4	45	1
NPC472391	C50H61NO18		963.39	-1.5057	4.87	4.022	19	6	283.7	30	7	69	3
NPC472392	C48H59NO17		921.38	-1.8848	4.76	3.711	18	7	277.63	28	7	66	3
NPC472393	C43H48O14		788.3	-1.4339	4.65	6.875	14	1	187.26	22	6	57	3
NPC473670	C35H42O14	Taxinine M	686.26	-2.3894	3.77	2.222	14	2	198.26	20	5	49	2
NPC67246	C45H53NO14	Cephalomannine	831.35	-0.2695	4.76	4.887	15	4	224.78	26	6	60	2

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Data Section	Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)
2. Physico-chemical Properties