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
- 8070
- Core Entity Id
- 12142
- Source Entity Count
- 1
- Preferred Name
- 7,24-stigmastadienol
- Name En
- Pubchem Id
- 129703395
- Smiles Canonical
- CC(CCC(=C(C)C)CCO)C1CCC2C1(CCC3C2=CCC4C3(CCCC4)C)C
- Molecular Formula
- C29H48O
- Molecular Weight
- 412.7020
- Inchikey
- SYPRWWCJVPOEIA-KUQGLZJWSA-N
- Inchi
- InChI=1S/C29H48O/c1-20(2)22(16-19-30)10-9-21(3)25-13-14-26-24-12-11-23-8-6-7-17-28(23,4)27(24)15-18-29(25,26)5/h12,21,23,25-27,30H,6-11,13-19H2,1-5H3/t21-,23?,25-,26+,27+,28+,29-/m1/s1
- Isomeric Smiles
- C[C@H](CCC(=C(C)C)CCO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CCCC4)C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.0906
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7,24-Stigmastadienol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7,24-Stigmastadienol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7,24-stigmastadienol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7,24-stigmastadienol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,24-stigmastadienol
Role
preferred
Source
HERB_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012886
Tcmid
20328
Sym Map
SMIT21935
Pub Chem
129703395
Tcmbank
TCMBANKIN034329
Etcm Ingredient
7,24-Stigmastadienol
Itcmdb Generated
ITX-INGREDIENT-DA175E4D5019ITX-INGREDIENT-F1247C5A21C7
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C29H48O/c1-20(2)22(16-19-30)10-9-21(3)25-13-14-26-24-12-11-23-8-6-7-17-28(23,4)27(24)15-18-29(25,26)5/h12,21,23,25-27,30H,6-11,13-19H2,1-5H3/t21-,23?,25-,26+,27+,28+,29-/m1/s1
Mol Wt
412.7020000000003
Smiles
CC(CCC(=C(C)C)CCO)C1CCC2C1(CCC3C2=CCC4C3(CCCC4)C)C
Mol Log P
8.09060000000001
Version
v2
In Ch Ikey
SYPRWWCJVPOEIA-KUQGLZJWSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.437
Num Hacceptors
1
Isomeric Smiles
C[C@H](CCC(=C(C)C)CCO)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CCCC4)C)C
Canonical Smiles
CC(CCC(=C(C)C)CCO)C1CCC2C1(CCC3C2=CCC4C3(CCCC4)C)C
Molecular Weight
412.370
Molecular Weight
412.7 g/mol
Molecular Formula
C29H48O
Molecular Formula
C29H48O
Molecular Formula
C29H48O
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.718
Quantitative Estimate Of Drug Likeness（Qed）
0.452