Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 860
- Core Entity Id
- 4149
- Source Entity Count
- 1
- Preferred Name
- 24-methylcholesta-7,22-dien-3beta-ol
- Name En
- Pubchem Id
- 54239392
- Smiles Canonical
- CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C
- Molecular Formula
- C28H46O
- Molecular Weight
- 398.6750
- Inchikey
- QOXPZVASXWSKKU-JYDNDKMDSA-N
- Inchi
- InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/t19?,20-,21?,22+,24-,25+,26+,27+,28-/m1/s1
- Isomeric Smiles
- C[C@H](C=CC(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.4107
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
24-methylcholesta-7,22-dien-3beta-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
24-methylcholesta-7,22-dien-3beta-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004450
Tcmid
14224
Sym Map
SMIT16559
Pub Chem
54239392
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/t19?,20-,21?,22+,24-,25+,26+,27+,28-/m1/s1
Mol Wt
398.6750000000002
Mol Log P
7.410700000000009
In Ch Ikey
QOXPZVASXWSKKU-JYDNDKMDSA-N
Num Hdonors
1
Drug Likeness
0.489
Num Hacceptors
1
Isomeric Smiles
C[C@H](C=CC(C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CC[C@@H](C4)O)C)C
Canonical Smiles
CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C
Molecular Formula
C28H46O
Num Rotatable Bonds
4