NPASS Natural Product

Natural Product: NPC30632

Natural Product ID:	NPC30632
Common Name:	Stemanthrene C
IUPAC Name:	4,8-dimethoxy-1,3-dimethyl-9,10-dihydrophenanthrene-2,7-diol
Synonyms:	stemanthrene C
Molecular Formula:	C18H20O4
Standard InCHIKey:	OEGNRAQRMQPIAM-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H20O4/c1-9-11-5-6-13-12(7-8-14(19)18(13)22-4)15(11)17(21-3)10(2)16(9)20/h7-8,19-20H,5-6H2,1-4H3
Canonical SMILES:	COc1c(O)ccc2c1CCc1c2c(OC)c(c(c1C)O)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
NPO12104	Stemona cf. pierrei	Species	Stemonaceae	Eukaryota				TCMID*
NPO33266	stemona cf. pierrei gagnep.	Species	Stemonaceae	Eukaryota		East Thailand, Sri Sa Ket Province, between Sri Sa Ket and Surin		PMID[15679323]

Showing 1 to 2 of 2 entries

Previous1Next

Biological Activity

Activity Type	# Activity
Others	1

Activity Type	# Activity
Others	1

Show entries

Search:

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		Inhibition	=	100	%	15679323

Showing 1 to 1 of 1 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 NPC30632 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	314
0.1-0.2	1338
0.2-0.3	2813
0.3-0.4	7797
0.4-0.5	5373
0.5-0.6	2419
0.6-0.7	4766
0.7-0.8	4933
0.8-0.85	701
0.85-0.9	291
0.9-0.95	110
0.95-1	34

Show entries

Search:

Similarity Score	Similarity Level	Natural Product ID
0.8846	High Similarity	NPC84086
0.8846	High Similarity	NPC121115
0.8846	High Similarity	NPC136319
0.8846	High Similarity	NPC197757
0.8846	High Similarity	NPC282496

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 NPC30632 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	319
0.1-0.2	977
0.2-0.3	1515
0.3-0.4	2854
0.4-0.5	1738
0.5-0.6	949
0.6-0.7	647
0.7-0.8	148
0.8-0.85	11
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Show entries

Search:

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.6923	Remote Similarity	NPD8099	Discontinued
0.6923	Remote Similarity	NPD2677	Approved
0.6923	Remote Similarity	NPD8252	Approved
0.6928	Remote Similarity	NPD5408	Approved
0.6928	Remote Similarity	NPD5404	Approved

Showing 1 to 5 of 200 entries

Previous1 2 3 4 5…40Next

Structure

CID30632 OpenBabel06191715362D 22 24 0 0 0 0 0 0 0 0999 V2000 -0.0000 -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 0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 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 -2.5981 -1.5000 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 0.0000 -2.0000 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 -1.5000 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 -2.5981 -0.5000 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 -0.8660 -0.5000 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 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 13 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 18 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	11370042
ChEMBL	CHEMBL480660
ZINC

Physicochemical Properties

Molecular Weight:	300.14
ALogP:	0.3846
MLogP:	3
XLogP:	2.265
# Rotatable Bonds:	8
Polar Surface Area:	58.92
# H-Bond Aceptor:	0
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	22

Download Data

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