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
- 11054
- Core Entity Id
- 15452
- Source Entity Count
- 1
- Preferred Name
- Anwuweizonicacid
- Name En
- Pubchem Id
- 53427596
- Smiles Canonical
- CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C
- Molecular Formula
- C30H46O3
- Molecular Weight
- 454.6950
- Inchikey
- KDCSSVADTHDYGI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)
- Isomeric Smiles
- CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.7520
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anwuweizonic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Anwuweizonicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anwuweizonicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
anwuweizonicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Anwuweizonic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016392
Tcmid
1468
Pub Chem
53427596
Tcmbank
TCMBANKIN001329
Etcm Ingredient
Anwuweizonic acid
Itcmdb Generated
ITX-INGREDIENT-7C37B7E9307F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H46O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h10,19,21,24H,8-9,11-18H2,1-7H3,(H,32,33)
Mol Wt
454.6950000000003
Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C
Mol Log P
7.752000000000009
In Ch Ikey
KDCSSVADTHDYGI-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.341
Num Hacceptors
2
Isomeric Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C
Canonical Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C
Molecular Weight
454.340
Molecular Weight
454.7 g/mol
Molecular Formula
C30H46O3
Molecular Formula
C30H46O3
Molecular Formula
C30H46O3
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.585
Quantitative Estimate Of Drug Likeness（Qed）
0.341