Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 15Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38748
- Core Entity Id
- 67538
- Source Entity Count
- 1
- Preferred Name
- (?)-15-hydroxy-cis-cleroda-3,13-dien-18-oicacid
- Name En
- Pubchem Id
- 101609203
- Smiles Canonical
- CC1CCC2(C(C1(C)CCC(=CCO)C)CCC=C2C(=O)O)C
- Molecular Formula
- C20H32O3
- Molecular Weight
- 320.4730
- Inchikey
- IOJVPVSNCYHILP-JOOWZKRYSA-N
- Inchi
- InChI=1S/C20H32O3/c1-14(10-13-21)8-11-19(3)15(2)9-12-20(4)16(18(22)23)6-5-7-17(19)20/h6,10,15,17,21H,5,7-9,11-13H2,1-4H3,(H,22,23)/b14-10+/t15-,17-,19+,20-/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CC/C(=C/CO)/C)CCC=C2C(=O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.5687
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7300
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-15-Hydroxy-cis-cleroda-3,13-dien-18-oic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(?)-15-hydroxy-cis-cleroda-3,13-dien-18-oicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-15-hydroxy-cis-cleroda-3,13-dien-18-oicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(?)-15-hydroxy-cis-cleroda-3,13-dien-18-oicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(+)-15-Hydroxy-cis-cleroda-3,13-dien-18-oic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001686
Tcmid
9918
Pub Chem
101609203
Tcmbank
TCMBANKIN028500
Etcm Ingredient
(+)-15-Hydroxy-cis-cleroda-3,13-dien-18-oic acid
Itcmdb Generated
ITX-INGREDIENT-29D4A632A85E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O3/c1-14(10-13-21)8-11-19(3)15(2)9-12-20(4)16(18(22)23)6-5-7-17(19)20/h6,10,15,17,21H,5,7-9,11-13H2,1-4H3,(H,22,23)/b14-10+/t15-,17-,19+,20-/m1/s1
Mol Wt
320.473
Smiles
CC1CCC2(C(C1(C)CCC(=CCO)C)CCC=C2C(=O)O)C
Mol Log P
4.568700000000004
In Ch Ikey
IOJVPVSNCYHILP-JOOWZKRYSA-N
Num Hdonors
2
Drug Likeness
0.73
Num Hacceptors
2
Isomeric Smiles
C[C@@H]1CC[C@]2([C@@H]([C@@]1(C)CC/C(=C/CO)/C)CCC=C2C(=O)O)C
Canonical Smiles
CC1CCC2(C(C1(C)CCC(=CCO)C)CCC=C2C(=O)O)C
Molecular Weight
320.240
Molecular Formula
C20H32O3
Molecular Formula
C20H32O3
Molecular Formula
C20H32O3
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.284
Quantitative Estimate Of Drug Likeness（Qed）
0.730