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
- 66380
- Core Entity Id
- 129029
- Source Entity Count
- 1
- Preferred Name
- 12-hydroxyganoderic acid D
- Name En
- Pubchem Id
- 131676060
- Smiles Canonical
- CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(CC4C3(CCC(=O)C4(C)C)C)O)O)C)C
- Molecular Formula
- C30H42O8
- Molecular Weight
- 530.2900
- Inchikey
- LCIUOVOXWPIXOR-IGWWZKADSA-N
- Inchi
- InChI=1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17-19,25,32,36H,8-13H2,1-7H3,(H,37,38)/t14-,15?,17-,18+,19+,25?,28+,29+,30+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.3000
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 146.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12-hydroxyganoderic acid D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
12-hydroxyganoderic acid D
Itcmdb Generated
ITX-INGREDIENT-6887479B2839
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
530.290
Molecular Formula
C30H42O8
Fda Maximum Daily Dose (Fdamdd)
0.204
Quantitative Estimate Of Drug Likeness（Qed）
0.532