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: 12Ingredient: 1Target: 3Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15745
- Core Entity Id
- 20670
- Source Entity Count
- 1
- Preferred Name
- Cycloartanol
- Name En
- Pubchem Id
- 12760132
- Smiles Canonical
- CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
- Molecular Formula
- C30H52O
- Molecular Weight
- 428.7450
- Inchikey
- YABASAWVVRQMEU-YBXTVTTCSA-N
- Inchi
- InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
- Isomeric Smiles
- C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
- Cas Id
- 4657-58-3
- Ob Score
- 27.2007
- Mol Logp
- 8.2488
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cycloartanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cycloartanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cycloartanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cycloartanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cycloartanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3beta-Cycloartanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3beta-Cycloartanol
Role
alias
Source
HERB_v2
Preferred
No
Name
4657-58-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
4657-58-3
Role
alias
Source
HERB_v2
Preferred
No
Name
52G6Q1IW86
Role
alias
Source
itcmdb_public
Preferred
No
Name
52G6Q1IW86
Role
alias
Source
HERB_v2
Preferred
No
Name
9,19-Cyclo-9beta-lanostan-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
9,19-Cyclo-9beta-lanostan-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,19-Cyclolanostan-3-ol, (3beta)-
Role
alias
Source
HERB_v2
Preferred
No
Name
9,19-Cyclolanostan-3-ol, (3beta)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,19-Cyclolanostan-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,19-Cyclolanostan-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Cycloartan-3b-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cycloartan-3b-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-226173
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-226173
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL455050
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-52G6Q1IW86
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-52G6Q1IW86
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3beta-Cycloartanol4657-58-352G6Q1IW869,19-Cyclo-9beta-lanostan-3beta-ol9,19-Cyclolanostan-3-ol, (3beta)-9,19-Cyclolanostan-3beta-olCycloartan-3b-olNSC-226173SCHEMBL455050UNII-52G6Q1IW86
Cross References
Trusted external identifiers retained for this final record.
Cas
4657-58-3
Herb
HBIN022142
Npass
NPC41577
Tcmid
4467
Tcmsp
MOL003752
Sym Map
SMIT00541
Pub Chem
12760132
Tcmbank
TCMBANKIN020623
Etcm Ingredient
Cycloartanol
Itcmdb Generated
ITX-INGREDIENT-3D62744FEB4F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H52O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h20-25,31H,8-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
Mol Wt
428.7450000000002
Cas Id
4657-58-3
Smiles
CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
Mol Log P
8.248800000000008
Version
v1,v2
In Ch Ikey
YABASAWVVRQMEU-YBXTVTTCSA-N
Ob Score
27.2006949527.20069527.201
Suppress
0
Num Hdonors
1
Drug Likeness
0.467
Num Hacceptors
1
Isomeric Smiles
C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
Molecule Weight
428.82
Canonical Smiles
CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
Herb Alias Names
4657-58-33beta-CycloartanolUNII-52G6Q1IW869,19-Cyclolanostan-3beta-olNSC-22617352G6Q1IW86Cycloartan-3b-ol9,19-Cyclo-9beta-lanostan-3beta-ol9,19-Cyclolanostan-3-ol, (3beta)-
Molecular Weight
428.400
Molecular Weight
428.73
Molecule Formula
C31H56O
Molecular Formula
C30H52O
Molecular Formula
C30H52O
Molecular Formula
C30H52O
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.685
Quantitative Estimate Of Drug Likeness（Qed）
0.467