Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34023
- Core Entity Id
- 41014
- Source Entity Count
- 1
- Preferred Name
- Stigmastadienol
- Name En
- Pubchem Id
- 129636643
- Smiles Canonical
- CC(C)C(=CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)C=CO
- Molecular Formula
- C29H48O
- Molecular Weight
- 412.7020
- Inchikey
- DSOKBBPJHVYCBQ-KZSQEHGRSA-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/h10,16,19-21,23-27,30H,6-9,11-15,17-18H2,1-5H3/t21-,23?,24+,25-,26+,27+,28+,29-/m1/s1
- Isomeric Smiles
- C[C@H](CC=C(C=CO)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.7157
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3530
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Stigmastadienol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Stigmastadienol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
stigmastadienol
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044902
Tcmid
33444
Tcm Id
23965
Pub Chem
129636643
Tcmbank
TCMBANKIN023416
Attributes
Merged source attributes and domain-specific metadata.
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/h10,16,19-21,23-27,30H,6-9,11-15,17-18H2,1-5H3/t21-,23?,24+,25-,26+,27+,28+,29-/m1/s1
Mol Wt
412.7020000000003
Smiles
CC(C)C(=CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)C=CO
Mol Log P
8.715700000000004
In Ch Ikey
DSOKBBPJHVYCBQ-KZSQEHGRSA-N
Num Hdonors
1
Drug Likeness
0.353
Num Hacceptors
1
Isomeric Smiles
C[C@H](CC=C(C=CO)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4[C@@]3(CCCC4)C)C
Canonical Smiles
CC(C)C(=CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCCC4)C)C)C=CO
Molecular Weight
412.7 g/mol
Molecular Formula
C29H48O
Molecular Formula
C29H48O
Num Rotatable Bonds
5