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
- 8278
- Core Entity Id
- 12372
- Source Entity Count
- 1
- Preferred Name
- 7beta-hydroxy-l-pimara-8(14),15-dien-19-oic acid
- Name En
- Pubchem Id
- 5318326
- Smiles Canonical
- CC1(CCC2C(=C1)C(CC3C2(CCCC3(C)C(=O)O)C)O)C=C
- Molecular Formula
- C20H30O3
- Molecular Weight
- 318.4570
- Inchikey
- PLKOJNUQWAKPNC-BZXWFNOBSA-N
- Inchi
- InChI=1S/C20H30O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23)/t14-,15+,16+,18+,19?,20-/m1/s1
- Isomeric Smiles
- C[C@@]1(CC[C@@H]2C(=C1)[C@H](C[C@H]3C2(CCC[C@@]3(C)C(=O)O)C)O)C=C
- Cas Id
- Ob Score
- Mol Logp
- 4.1770
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-beta-Hydroxy-L-pimara-8(14),15-dien-19-oic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7beta-hydroxy-l-pimara-8(14),15-dien-19-oic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7beta-hydroxy-l-pimara-8(14),15-dien-19-oic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7beta-hydroxy-l-pimara-8(14),15-dien-19-oic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7β-hydroxy-l-pimara-8(14),15-dien-19-oicacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7-beta-Hydroxy-L-pimara-8(14),15-dien-19-oic acid7β-hydroxy-l-pimara-8(14),15-dien-19-oicacid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013112
Tcmid
1064731264
Pub Chem
5318326
Tcmbank
TCMBANKIN047485
Etcm Ingredient
7-beta-Hydroxy-L-pimara-8(14),15-dien-19-oic acid
Itcmdb Generated
ITX-INGREDIENT-0F1E732A5D24
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H30O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23)/t14-,15+,16+,18+,19?,20-/m1/s1
Mol Wt
318.457
Smiles
CC1(CCC2C(=C1)C(CC3C2(CCCC3(C)C(=O)O)C)O)C=C
Mol Log P
4.177000000000003
In Ch Ikey
PLKOJNUQWAKPNC-BZXWFNOBSA-N
Reference
6
Num Hdonors
2
Drug Likeness
0.751
Num Hacceptors
2
Isomeric Smiles
C[C@@]1(CC[C@@H]2C(=C1)[C@H](C[C@H]3C2(CCC[C@@]3(C)C(=O)O)C)O)C=C
Canonical Smiles
CC1(CCC2C(=C1)C(CC3C2(CCCC3(C)C(=O)O)C)O)C=C
Molecular Weight
318.220
Molecular Formula
C20H30O3
Molecular Formula
C20H30O3
Molecular Formula
C20H30O3
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.941
Quantitative Estimate Of Drug Likeness（Qed）
0.751