Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 4Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 19556
- Core Entity Id
- 24919
- Source Entity Count
- 1
- Preferred Name
- Furostanol
- Name En
- Pubchem Id
- 22295359
- Smiles Canonical
- CC1C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCCC5)C)C)CCC(C)CO
- Molecular Formula
- C27H46O2
- Molecular Weight
- 402.6630
- Inchikey
- VTDHWTKIIMFVPT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C27H46O2/c1-17(16-28)8-11-23-18(2)25-24(29-23)15-22-20-10-9-19-7-5-6-13-26(19,3)21(20)12-14-27(22,25)4/h17-25,28H,5-16H2,1-4H3
- Isomeric Smiles
- CC1C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCCC5)C)C)CCC(C)CO
- Cas Id
- Ob Score
- 24.6350
- Mol Logp
- 6.4574
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Furostanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Furostanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Furostanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Furostanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
furostanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
furostanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Furostan-26-ol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
Furostan-26-ol #
Role
alias
Source
HERB_v2
Preferred
No
Name
Furostan-26-ol, (5.alpha.,20.beta.,25R)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Furostan-26-ol, (5.alpha.,20.beta.,25R)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
VTDHWTKIIMFVPT-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
VTDHWTKIIMFVPT-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Furostan-26-ol #Furostan-26-ol, (5.alpha.,20.beta.,25R)-VTDHWTKIIMFVPT-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026933
Tcmsp
MOL008589
Sym Map
SMIT09851
Pub Chem
22295359620829
Tcmbank
TCMBANKIN035306
Etcm Ingredient
furostanol
Itcmdb Generated
ITX-INGREDIENT-B656F263E442
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C27H46O2/c1-17(16-28)8-11-23-18(2)25-24(29-23)15-22-20-10-9-19-7-5-6-13-26(19,3)21(20)12-14-27(22,25)4/h17-25,28H,5-16H2,1-4H3
Mol Wt
402.6630000000002
Smiles
CC1C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCCC5)C)C)CCC(C)CO
Mol Log P
6.457400000000009
Version
v1,v2
In Ch Ikey
VTDHWTKIIMFVPT-UHFFFAOYSA-N
Ob Score
24.63524.6354216624.635422
Suppress
0
Num Hdonors
1
Drug Likeness
0.585
Num Hacceptors
2
Isomeric Smiles
CC1C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCCC5)C)C)CCC(C)CO
Molecule Weight
400.76
Canonical Smiles
CC1C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCCC5)C)C)CCC(C)CO
Herb Alias Names
Furostan-26-ol #VTDHWTKIIMFVPT-UHFFFAOYSA-NFurostan-26-ol, (5.alpha.,20.beta.,25R)-
Molecular Weight
400.370
Molecular Weight
402.7 g/mol
Molecular Formula
C28H48O
Molecular Formula
C27H46O2
Molecular Formula
C27H46O2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.085
Quantitative Estimate Of Drug Likeness（Qed）
0.466