Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 43865
- Core Entity Id
- 86876
- Source Entity Count
- 1
- Preferred Name
- 7-oxo-13beta-hydroxyabiet-8(14)-en-18-oic acid
- Name En
- Pubchem Id
- 15450492
- Smiles Canonical
- CC(C)[C@]1(O)C=C2C(=O)C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1
- Molecular Formula
- C20H30O4
- Molecular Weight
- 334.0000
- Inchikey
- UFEHYRPBLFGEJW-RDWNTVFTSA-N
- Inchi
- InChI=1S/C20H30O4/c1-12(2)20(24)9-6-14-13(11-20)15(21)10-16-18(14,3)7-5-8-19(16,4)17(22)23/h11-12,14,16,24H,5-10H2,1-4H3,(H,22,23)/t14-,16+,18+,19+,20+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 75.0000
- Molecular Volume
- 247.0000
- Alogp
- 3.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-oxo-13beta-hydroxyabiet-8(14)-en-18-oic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-oxo-13beta-hydroxyabiet-8(14)-en-18-oic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-oxo-13b-hydroxyabiet-8(14)-en-18-oic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
7-oxo-13b-hydroxyabiet-8(14)-en-18-oic acid
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN013014TCMBANKIN009976
Etcm Ingredient
7-oxo-13beta-hydroxyabiet-8(14)-en-18-oic acid
Itcmdb Generated
ITX-INGREDIENT-7EFBC5D29F0DITX-INGREDIENT-87775671BDA1ITX-INGREDIENT-2030E5CFAF19
Attributes
Merged source attributes and domain-specific metadata.
Alog P
3
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]2([H])C(=C([H])[C@](C([H])(C([H])([H])[H])C([H])([H])[H])(O[H])C([H])([H])C2([H])[H])C(=O)C3([H])[H])[C@]3([H])[C@@](C(O[H])=O)(C([H])([H])[H])C1([H])[H
]
37 Flag
37
C Count
20
N Count
0
O Count
4
P Count
0
S Count
0
Tcm Name
松节
Tcm Name2
马尾松Pinus massoniana
Mol2 Path
/TCM_database/15.祛风湿药(23-26)/1.祛风湿散寒药(13-13)/松节/马尾松Pinus massoniana/Structure/3D/7-oxo-13beta-hydroxyabiet-8(14)-en-18-oic acid.mol2
Tcm Name En
Song jie (pine node)
Level1 Name
15.祛风湿药(23-26)
Level2 Name
1.祛风湿散寒药(13-13)
Num H Donors
2
Level1 Name En
wind-dampness dispelling medicinal
Level2 Name En
wind-dampness dispelling and cold dispersing medicinal
Num H Acceptors
4
Molecular Weight
334.210
Molecular Volume
247
Molecular Weight
334
Molecular Formula
C20H30O4
Molecular Formula
C20H30O4
Num Rotatable Bonds
2
Molecular Polar Surface Area
75
Fda Maximum Daily Dose (Fdamdd)
0.950
Quantitative Estimate Of Drug Likeness（Qed）
0.809