Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15748
- Core Entity Id
- 20673
- Source Entity Count
- 1
- Preferred Name
- Cycloartenol
- Name En
- Pubchem Id
- 134688382
- Smiles Canonical
- CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
- Molecular Formula
- C30H50O
- Molecular Weight
- 426.7290
- Inchikey
- ONQRKEUAIJMULO-RJLHEEBPSA-N
- Inchi
- InChI=1S/C30H50O/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/h9,21-25,31H,8,10-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
- Isomeric Smiles
- C[C@H](CCC=C(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
- 469-38-5
- Ob Score
- 38.6857
- Mol Logp
- 8.1689
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4490
- Polar Surface Area
- 20.0000
- Molecular Volume
- 350.0000
- Alogp
- 8.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cycloart-24-en-3-ol; 3beta-form
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cycloart-24-en-3-ol; 3beta-form
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cycloartenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cycloartenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cycloartenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cycloartenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
cycloartenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
469-38-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
469-38-5
Role
alias
Source
HERB_v2
Preferred
No
Name
469-38-5
Role
alias
Source
TCMBank
Preferred
No
Name
9,19-Cyclolanost-24-en-3-ol, (3beta)-
Role
alias
Source
TCMBank
Preferred
No
Name
9beta,19-Cyclo-24-lanosten-3beta-ol
Role
alias
Source
TCMBank
Preferred
No
Name
9beta,19-cyclo-24-lanosten-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
9beta,19-cyclo-24-lanosten-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Artosenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Artosenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
C01902
Role
alias
Source
TCMBank
Preferred
No
Name
CF58DF82-6B90-40E1-B241-3FA99C98DA64
Role
alias
Source
TCMBank
Preferred
No
Name
Cycloartenol
Role
alias
Source
TCMBank
Preferred
No
Name
Cycloarterenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cycloarterenol
Role
alias
Source
TCMBank
Preferred
No
Name
Cycloarterenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Handianol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Handianol
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 670193
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 670193
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 670193
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL561141
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-YU32VE82N3
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-YU32VE82N3
Role
alias
Source
itcmdb_public
Preferred
No
Name
YU32VE82N3
Role
alias
Source
itcmdb_public
Preferred
No
Name
YU32VE82N3
Role
alias
Source
HERB_v2
Preferred
No
Name
cycloart-24(25)-enol
Role
alias
Source
HERB_v2
Preferred
No
Name
cycloart-24(25)-enol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Cycloart-24-en-3-ol; 3beta-form469-38-59,19-Cyclolanost-24-en-3-ol, (3beta)-9beta,19-Cyclo-24-lanosten-3beta-olArtosenolC01902CF58DF82-6B90-40E1-B241-3FA99C98DA64CycloarterenolHandianolNSC 670193SCHEMBL561141UNII-YU32VE82N3YU32VE82N3cycloart-24(25)-enol
Cross References
Trusted external identifiers retained for this final record.
Cas
469-38-5
Herb
HBIN022134HBIN022145
Npass
NPC85346
Tcmid
4472
Tcmsp
MOL003578
Sym Map
SMIT01365SMIT05627
Tcm Id
1518915190180292228452585262
Pub Chem
1346883821459257001461589533010871382580451097735002139174658792110
Tcmbank
TCMBANKIN049686
Etcm Ingredient
cycloartenol
Itcmdb Generated
ITX-INGREDIENT-201BC3591ADA
Attributes
Merged source attributes and domain-specific metadata.
Alog P
8
In Ch I
InChI=1S/C30H50O/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/h9,21-25,31H,8,10-19H2,1-7H3/t21-,22-,23+,24+,25+,27-,28+,29-,30+/m1/s1
Mol Wt
426.7290000000002
Cas Id
469-38-5
Smiles
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
37 Flag
37
C Count
30
Mol Log P
8.168900000000008
N Count
0
O Count
1
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
ONQRKEUAIJMULO-YBXTVTTCSA-N
Ob Score
38.68565906
Suppress
1
Mol2 Path
/TCM_database/16.化湿药(9-9)/荷叶/structure/cycloartenol.mol2
Num Hdonors
1
Num H Donors
1
Drug Likeness
0.449
Num Hacceptors
1
Isomeric Smiles
C[C@H](CCC=C(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
426.8
Num H Acceptors
1
Canonical Smiles
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C
Molecular Weight
426.390
Molecular Volume
350
Molecular Weight
426.7 g/mol
Molecule Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Num Rotatable Bonds
4
Link Ingredient Id
1365.0
Num Rotatable Bonds
4
Molecular Polar Surface Area
20
Fda Maximum Daily Dose (Fdamdd)
0.900
Quantitative Estimate Of Drug Likeness（Qed）
0.449