Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 4Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15750
- Core Entity Id
- 20676
- Source Entity Count
- 1
- Preferred Name
- Cycloartenone
- Name En
- Pubchem Id
- 12305360
- Smiles Canonical
- CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
- Molecular Formula
- C30H48O
- Molecular Weight
- 424.7130
- Inchikey
- NAJCQAAOHKVCES-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H48O/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/h9,21-24H,8,10-19H2,1-7H3
- Isomeric Smiles
- CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
- Cas Id
- 511-63-7
- Ob Score
- 40.5700
- Mol Logp
- 8.3771
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4140
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cycloartenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cycloartenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cycloartenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cycloartenone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
cycloartenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
511-63-7
Role
alias
Source
TCMBank
Preferred
No
Name
511-63-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
511-63-7
Role
alias
Source
HERB_v2
Preferred
No
Name
7,7,12,16-Tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,7,12,16-Tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL226084
Role
alias
Source
TCMBank
Preferred
No
Name
Cycloartenone
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID30324589
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30324589
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC407136
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC407136
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
511-63-77,7,12,16-Tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-oneCHEMBL226084DTXSID30324589NSC407136
Cross References
Trusted external identifiers retained for this final record.
Cas
511-63-7
Herb
HBIN022148
Npass
NPC477856
Tcmid
4473
Tcmsp
MOL009075MOL009711
Sym Map
SMIT00748
Pub Chem
1230536012305362348093
Tcmbank
TCMBANKIN018095
Etcm Ingredient
Cycloartenone
Itcmdb Generated
ITX-INGREDIENT-39608D3728D6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H48O/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/h9,21-24H,8,10-19H2,1-7H3
Mol Wt
424.7130000000002
Cas Id
511-63-7
Smiles
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
Mol Log P
8.377100000000006
Version
v1,v2
In Ch Ikey
NAJCQAAOHKVCES-UHFFFAOYSA-N
Ob Score
40.5740.57046640.57046636
Suppress
0
Num Hdonors
0
Drug Likeness
0.414
Num Hacceptors
1
Isomeric Smiles
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
Molecule Weight
424.78
Canonical Smiles
CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5(C)C)C)C
Herb Alias Names
511-63-77,7,12,16-Tetramethyl-15-(6-methylhept-5-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-oneNSC407136DTXSID30324589NSC-407136
Molecular Weight
424.370
Molecular Weight
424.7
Molecule Formula
C31H52O
Molecular Formula
C30H48O
Molecular Formula
C30H48O
Molecular Formula
C30H48O
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.551
Quantitative Estimate Of Drug Likeness（Qed）
0.414