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
- 635
- Core Entity Id
- 3899
- Source Entity Count
- 1
- Preferred Name
- (23s)-ethylcholest-5-en-3-beta-ol
- Name En
- Pubchem Id
- 91750025
- Smiles Canonical
- CCC(CC(C)C)CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
- Molecular Formula
- C29H50O
- Molecular Weight
- 414.7180
- Inchikey
- WVNIISADYSWCOG-MSSDKOIGSA-N
- Inchi
- InChI=1S/C29H50O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h8,19-21,23-27,30H,7,9-18H2,1-6H3/t20-,21+,23+,24?,25-,26?,27?,28+,29-/m1/s1
- Isomeric Smiles
- CC[C@H](C[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CC(C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.0248
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(23S)-ethylcholest-5-en-3-beta-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(23s)-ethylcholest-5-en-3-beta-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(23s)-ethylcholest-5-en-3-beta-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(23S)-Ethylcholest-5-en-3-.beta.-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(23S)-Ethylcholest-5-en-3-.beta.-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
WVNIISADYSWCOG-MSSDKOIGSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
WVNIISADYSWCOG-MSSDKOIGSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(23S)-Ethylcholest-5-en-3-.beta.-olWVNIISADYSWCOG-MSSDKOIGSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004174
Npass
NPC310801
Tcmid
40310
Pub Chem
91750025
Tcmbank
TCMBANKIN005118
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H50O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h8,19-21,23-27,30H,7,9-18H2,1-6H3/t20-,21+,23+,24?,25-,26?,27?,28+,29-/m1/s1
Mol Wt
414.7180000000002
Smiles
CCC(CC(C)C)CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Mol Log P
8.02480000000001
In Ch Ikey
WVNIISADYSWCOG-MSSDKOIGSA-N
Num Hdonors
1
Drug Likeness
0.436
Num Hacceptors
1
Isomeric Smiles
CC[C@H](C[C@@H](C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)CC(C)C
Canonical Smiles
CCC(CC(C)C)CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Herb Alias Names
WVNIISADYSWCOG-MSSDKOIGSA-N(23S)-Ethylcholest-5-en-3-.beta.-ol
Molecular Formula
C29H50O
Molecular Formula
C29H50O
Num Rotatable Bonds
6