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
- 46885
- Core Entity Id
- 89896
- Source Entity Count
- 1
- Preferred Name
- (23 e)-27-nor-3β-hydroxycycloart-23-en-25-one
- Name En
- Pubchem Id
- 73813004
- Smiles Canonical
- CC(=O)C=CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C
- Molecular Formula
- C29H46O2
- Molecular Weight
- 426.3500
- Inchikey
- WNTCMDLOMSFFPE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C29H46O2/c1-19(8-7-9-20(2)30)21-12-14-27(6)23-11-10-22-25(3,4)24(31)13-15-28(22)18-29(23,28)17-16-26(21,27)5/h7,9,19,21-24,31H,8,10-18H2,1-6H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.7000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(23 e)-27-nor-3β-hydroxycycloart-23-en-25-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(23E)-27-Nor-3β-hydroxycycloart-23-en-25-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(23E)-27-Nor-3β-hydroxycycloart-23-en-25-one
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN023364
Etcm Ingredient
(23E)-27-Nor-3β-hydroxycycloart-23-en-25-one
Itcmdb Generated
ITX-INGREDIENT-EE7995BDAD6F
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC(CC=CC(=O)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
Molecular Weight
426.350
Molecular Formula
C29H46O2
Molecular Formula
C29H46O2
Fda Maximum Daily Dose (Fdamdd)
0.973
Quantitative Estimate Of Drug Likeness（Qed）
0.493