Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25256
- Core Entity Id
- 31266
- Source Entity Count
- 1
- Preferred Name
- Lycoxanthin
- Name En
- Pubchem Id
- 5281245
- Smiles Canonical
- CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)CO)C)C)C)C
- Molecular Formula
- C40H56O
- Molecular Weight
- 552.8870
- Inchikey
- IFTRFNLCKUZSNG-SFEKFZNLSA-N
- Inchi
- InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+
- Isomeric Smiles
- CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CO)/C)/C)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 11.9104
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 17
- Drug Likeness
- 0.1400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycoxanthin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lycoxanthin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycoxanthin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lycoxanthin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
19891-74-8
Role
alias
Source
HERB_v2
Preferred
No
Name
19891-74-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycopen-16-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycopen-16-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycopen-16-ol, all-trans-
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycopen-16-ol, all-trans-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycoxanthin [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycoxanthin [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycoxanthin, all-trans-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycoxanthin, all-trans-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-Z178H2XR4Q
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-Z178H2XR4Q
Role
alias
Source
itcmdb_public
Preferred
No
Name
Z178H2XR4Q
Role
alias
Source
HERB_v2
Preferred
No
Name
Z178H2XR4Q
Role
alias
Source
itcmdb_public
Preferred
No
Name
all-trans-Lycoxanthin
Role
alias
Source
itcmdb_public
Preferred
No
Name
all-trans-Lycoxanthin
Role
alias
Source
HERB_v2
Preferred
No
Name
omega,omega-Caroten-16-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
omega,omega-Caroten-16-ol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
19891-74-8Lycopen-16-olLycopen-16-ol, all-trans-Lycoxanthin [MI]Lycoxanthin, all-trans-UNII-Z178H2XR4QZ178H2XR4Qall-trans-Lycoxanthinomega,omega-Caroten-16-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034012
Npass
NPC172196
Tcmid
13236
Pub Chem
5281245
Tcmbank
TCMBANKIN010568
Etcm Ingredient
Lycoxanthin
Itcmdb Generated
ITX-INGREDIENT-238EE906C008
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+
Mol Wt
552.8870000000003
Smiles
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)CO)C)C)C)C
Mol Log P
11.91039999999998
In Ch Ikey
IFTRFNLCKUZSNG-SFEKFZNLSA-N
Num Hdonors
1
Drug Likeness
0.14
Num Hacceptors
1
Isomeric Smiles
CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CO)/C)/C)/C)C
Canonical Smiles
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)CO)C)C)C)C
Herb Alias Names
all-trans-LycoxanthinLycoxanthin [MI]Lycoxanthin, all-trans-Lycopen-16-ol, all-trans-19891-74-8Lycopen-16-olomega,omega-Caroten-16-olUNII-Z178H2XR4QZ178H2XR4Q
Molecular Weight
552.430
Molecular Weight
552.9 g/mol
Molecular Formula
C40H56O
Molecular Formula
C40H56O
Molecular Formula
C40H56O
Num Rotatable Bonds
17
Fda Maximum Daily Dose (Fdamdd)
0.966
Quantitative Estimate Of Drug Likeness（Qed）
0.140