Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52203
- Core Entity Id
- 95214
- Source Entity Count
- 1
- Preferred Name
- 15-Isopimaren-3Β,8Β-Diol
- Name En
- Pubchem Id
- 73803352
- Smiles Canonical
- C=CC1(C)CCC2C(O)(CCC3C(C)(C)C(O)CCC23C)C1
- Molecular Formula
- C20H34O2
- Molecular Weight
- 306.2600
- Inchikey
- UIVFXGICZLHPQO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H34O2/c1-6-18(4)10-7-15-19(5)11-9-16(21)17(2,3)14(19)8-12-20(15,22)13-18/h6,14-16,21-22H,1,7-13H2,2-5H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.6000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
15-Isopimaren-3Β,8Β-Diol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
15-Isopimaren-3β,8β-diol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
15-isopimaren-3β,8β-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN044058
Etcm Ingredient
15-Isopimaren-3β,8β-diol
Itcmdb Generated
ITX-INGREDIENT-330FE25C99F2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1(C2CCC3(CC(CCC3C2(CCC1O)C)(C)C=C)O)C
Version
v1,v2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/11598.mol2
Reference
3022
Molecular Weight
306.260
Molecule Formula
C20H34O2
Molecular Formula
C20H34O2
Molecular Formula
C20H34O2
Fda Maximum Daily Dose (Fdamdd)
0.825
Quantitative Estimate Of Drug Likeness（Qed）
0.709