NPASS Natural Product

Natural Product: NPC282390

Natural Product ID:	NPC282390
Common Name:	Dorsilurin H
IUPAC Name:	5,9-dihydroxy-8-[3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-enyl]phenyl]-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-f]chromen-10-one
Synonyms:	Dorsilurin H
Molecular Formula:	C30H34O7
Standard InCHIKey:	RPAGHTUIKDMNCP-NRFANRHFSA-N
Standard InCHI:	InChI=1S/C30H34O7/c1-15(2)7-10-19-24(33)20-11-12-30(5,6)37-29(20)23-25(34)26(35)27(36-28(19)23)18-9-8-17(22(32)14-18)13-21(31)16(3)4/h7-9,14,21,31-33,35H,3,10-13H2,1-2,4-6H3/t21-/m0/s1
Canonical SMILES:	CC(=CCc1c(O)c2CCC(Oc2c2c1oc(c1ccc(c(c1)O)C[C@@H](C(=C)C)O)c(c2=O)O)(C)C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Show entries

Search:

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO4673	Dorstenia psilurus	Species	Moraceae	Eukaryota				PMID[19061390]
NPO4673	Dorstenia psilurus	Species	Moraceae	Eukaryota	Root			PMID[19061390]

Showing 1 to 2 of 2 entries

Previous1Next

Biological Activity

Activity Type	# Activity
IC50	2

Activity Type	# Activity
Others	2

Show entries

Search:

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	24010	nM	19061390
NPT2	Others	Unspecified		IC50	=	671030	nM	19061390

Showing 1 to 2 of 2 entries

Previous1Next

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC282390 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	293
0.1-0.2	1153
0.2-0.3	2134
0.3-0.4	5207
0.4-0.5	7649
0.5-0.6	3161
0.6-0.7	3714
0.7-0.8	4046
0.8-0.85	1813
0.85-0.9	1364
0.9-0.95	348
0.95-1	7

Show entries

Search:

Similarity Score	Similarity Level	Natural Product ID
0.9108	High Similarity	NPC471976
0.9125	High Similarity	NPC218226
0.9128	High Similarity	NPC1089
0.9128	High Similarity	NPC473042
0.9128	High Similarity	NPC10937

Showing 1 to 5 of 200 entries

Previous1 2 3 4 5…40Next

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC282390 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	296
0.1-0.2	892
0.2-0.3	1497
0.3-0.4	2477
0.4-0.5	2083
0.5-0.6	1180
0.6-0.7	503
0.7-0.8	173
0.8-0.85	34
0.85-0.9	24
0.9-0.95	2
0.95-1	0

Show entries

Search:

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7135	Intermediate Similarity	NPD5889	Approved
0.7143	Intermediate Similarity	NPD1608	Approved
0.7143	Intermediate Similarity	NPD3972	Approved
0.7143	Intermediate Similarity	NPD9717	Approved
0.7152	Intermediate Similarity	NPD7003	Approved

Showing 1 to 5 of 200 entries

Previous1 2 3 4 5…40Next

Structure

CID282390 OpenBabel06191716092D 37 40 0 0 1 0 0 0 0 0999 V2000 -5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6603 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 16 2 0 0 0 0 4 16 1 0 0 0 0 5 30 1 0 0 0 0 6 30 1 0 0 0 0 7 10 1 0 0 0 0 7 15 2 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 14 18 2 0 0 0 0 14 22 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 27 1 0 0 0 0 19 24 2 0 0 0 0 19 28 1 0 0 0 0 20 24 1 0 0 0 0 20 29 2 0 0 0 0 21 31 1 6 0 0 0 22 32 1 0 0 0 0 23 25 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 33 1 0 0 0 0 25 26 1 0 0 0 0 25 34 2 0 0 0 0 26 27 2 0 0 0 0 26 35 1 0 0 0 0 27 36 1 0 0 0 0 28 36 1 0 0 0 0 29 37 1 0 0 0 0 30 37 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	25180897
ChEMBL	CHEMBL489068
ZINC

Physicochemical Properties

Molecular Weight:	506.23
ALogP:	1.4604
MLogP:	3.99
XLogP:	4.883
# Rotatable Bonds:	15
Polar Surface Area:	116.45
# H-Bond Aceptor:	3
# H-Bond Donor:	4
# Rings:	4
# Heavy Atoms:	37

Download Data

Data Type	Select
General Info & Identifiers & Properties
Structure MOL file
Source Organisms
Biological Activities
Similar NPs/Drugs