Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 42665
- Core Entity Id
- 85676
- Source Entity Count
- 1
- Preferred Name
- (3Β, 12Α,13Α)-3,12-Dihydroxypimara
- Name En
- Pubchem Id
- 162962220
- Smiles Canonical
- C=CC1(C)CC2=CCC3C(C)(C)C(O)C(=O)CC3(C)C2CC1O
- Molecular Formula
- C20H30O3
- Molecular Weight
- 318.4000
- Inchikey
- OOMYUULZZJPOPD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H30O3/c1-6-19(4)10-12-7-8-15-18(2,3)17(23)14(21)11-20(15,5)13(12)9-16(19)22/h6-7,13,15-17,22-23H,1,8-11H2,2-5H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.9000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(3Β, 12Α,13Α)-3,12-Dihydroxypimara
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3β, 12α,13α)-3,12-dihydroxypimara
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT19845
Tcmbank
TCMBANKIN008783
Itcmdb Generated
ITX-INGREDIENT-5930E137FF97
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1(C2CC=C3CC(C(CC3C2(CC(=O)C1O)C)O)(C)C=C)C
Version
v2
Suppress
0
Molecular Formula
C20H30O3