Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 50083
- Core Entity Id
- 93094
- Source Entity Count
- 1
- Preferred Name
- 3beta-hydroxy-8(14),15-pimaradien-18-ol
- Name En
- Pubchem Id
- 162831712
- Smiles Canonical
- C=C[C@@]1(C)C=C2CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]3(C)[C@@]2(C)CC1
- Molecular Formula
- C21H34O2
- Molecular Weight
- 318.0000
- Inchikey
- UACJVPPLJDCWIA-DGGDGUMWSA-N
- Inchi
- InChI=1S/C21H34O2/c1-6-18(2)11-12-20(4)15(13-18)7-8-16-19(3,14-22)17(23)9-10-21(16,20)5/h6,13,16-17,22-23H,1,7-12,14H2,2-5H3/t16-,17-,18+,19-,20-,21-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 40.0000
- Molecular Volume
- 250.0000
- Alogp
- 4.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3beta-hydroxy-8(14),15-pimaradien-18-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3beta-hydroxy-8(14),15-pimaradien-18-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN033632
Etcm Ingredient
3beta-hydroxy-8(14),15-pimaradien-18-ol
Itcmdb Generated
ITX-INGREDIENT-47AE30675AA0ITX-INGREDIENT-4E2962B9BE24
Attributes
Merged source attributes and domain-specific metadata.
Alog P
4
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@]2(C([H])([H])[H])C(=C([H])[C@@](C([H])=C([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H])C([H])([H])C3([H])[H])[C@]3([H])[C@@](C([H])([H])O[H])(C([H])([H]
)[H])[C@@]1([H])O[H]
37 Flag
37
C Count
21
N Count
0
O Count
2
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/3beta-hydroxy-8(14),15-pimaradien-18-ol.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
2
Molecular Weight
318.260
Molecular Volume
250
Molecular Weight
318
Molecular Formula
C21H34O2
Molecular Formula
C21H34O2
Num Rotatable Bonds
2
Molecular Polar Surface Area
40
Fda Maximum Daily Dose (Fdamdd)
0.967
Quantitative Estimate Of Drug Likeness（Qed）
0.737