Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34026
- Core Entity Id
- 41017
- Source Entity Count
- 1
- Preferred Name
- Stigmastan-3,5-diene
- Name En
- Pubchem Id
- 525918
- Smiles Canonical
- CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC=C4)C)C)C(C)C
- Molecular Formula
- C29H48
- Molecular Weight
- 396.7030
- Inchikey
- ICCTZARHLGPHMT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3
- Isomeric Smiles
- CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC=C4)C)C)C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 8.8300
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.4200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Stigmastan-3,5-diene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Stigmastan-3,5-diene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
stigmastan-3,5-diene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ICCTZARHLGPHMT-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
ICCTZARHLGPHMT-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stigmasta-3,5-diene #
Role
alias
Source
itcmdb_public
Preferred
No
Name
Stigmasta-3,5-diene #
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
ICCTZARHLGPHMT-UHFFFAOYSA-NStigmasta-3,5-diene #
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044905
Npass
NPC155767
Tcmid
40796
Pub Chem
525918
Tcmbank
TCMBANKIN013627
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3
Mol Wt
396.7030000000002
Smiles
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC=C4)C)C)C(C)C
Mol Log P
8.830000000000004
In Ch Ikey
ICCTZARHLGPHMT-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.42
Num Hacceptors
0
Isomeric Smiles
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC=C4)C)C)C(C)C
Canonical Smiles
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC=C4)C)C)C(C)C
Herb Alias Names
Stigmasta-3,5-diene #ICCTZARHLGPHMT-UHFFFAOYSA-N
Molecular Weight
396.7 g/mol
Molecular Formula
C29H48
Molecular Formula
C29H48
Num Rotatable Bonds
6