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
- 868
- Core Entity Id
- 4159
- Source Entity Count
- 1
- Preferred Name
- 24-methylene cycloartanol acetate
- Name En
- Pubchem Id
- 137705056
- Smiles Canonical
- CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C
- Molecular Formula
- C33H54O2
- Molecular Weight
- 482.7930
- Inchikey
- BYIMYSSYXBYIBJ-LGJQARLASA-N
- Inchi
- InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h21,23,25-28H,3,10-20H2,1-2,4-9H3/t23?,25?,26-,27+,28?,30+,31-,32+,33-/m0/s1
- Isomeric Smiles
- CC(C)C(=C)CCC(C)C1CC[C@@]2([C@@]1(CC[C@]34[C@@H]2CC[C@@H]5[C@]3(C4)CCC(C5(C)C)OC(=O)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.9857
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
24-Methylenecycloartanol acetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
24-methylene cycloartanol acetate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
24-methylene cycloartanol acetate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
24-methylene cycloartanol acetate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
24-methylenecycloartanol acetate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
24-Methylenecycloartanol acetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004461
Tcmid
34797
Tcm Id
19389
Pub Chem
137705056
Tcmbank
TCMBANKIN028967
Etcm Ingredient
24-Methylenecycloartanol acetate
Itcmdb Generated
ITX-INGREDIENT-8E5FB9547ED8
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h21,23,25-28H,3,10-20H2,1-2,4-9H3/t23?,25?,26-,27+,28?,30+,31-,32+,33-/m0/s1
Mol Wt
482.7930000000003
Smiles
CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C
Mol Log P
8.985700000000003
In Ch Ikey
BYIMYSSYXBYIBJ-LGJQARLASA-N
Num Hdonors
0
Drug Likeness
0.279
Num Hacceptors
2
Isomeric Smiles
CC(C)C(=C)CCC(C)C1CC[C@@]2([C@@]1(CC[C@]34[C@@H]2CC[C@@H]5[C@]3(C4)CCC(C5(C)C)OC(=O)C)C)C
Canonical Smiles
CC(C)C(=C)CCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C)C)C
Molecular Weight
482.410
Molecular Weight
482.8 g/mol
Molecular Formula
C33H54O2
Molecular Formula
C33H54O2
Molecular Formula
C33H54O2
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.577
Quantitative Estimate Of Drug Likeness（Qed）
0.279