Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25230
- Core Entity Id
- 31236
- Source Entity Count
- 1
- Preferred Name
- Lycophyll
- Name En
- Pubchem Id
- 5363599
- Smiles Canonical
- CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)CO)C)C)CCC=C(C)CO
- Molecular Formula
- C40H56O2
- Molecular Weight
- 568.8860
- Inchikey
- JEVVKJMRZMXFBT-CCHFXWJWSA-N
- Inchi
- InChI=1S/C40H56O2/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3/b10-9+,19-11+,20-12+,23-13+,24-14+,33-17+,34-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
- Isomeric Smiles
- 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(/CO)\C)/C)/C)/C)\C)\C)/CC/C=C(/CO)\C
- Cas Id
- Ob Score
- Mol Logp
- 10.8828
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 18
- Drug Likeness
- 0.1270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lycophyll
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lycophyll
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lycophyll
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lycophyll
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lycophyll
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2Z,6Z,8Z,10Z,12Z,14Z,16E,18E,20E,24E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol
Role
alias
Source
TCMBank
Preferred
No
Name
(All-trans)-Lycopene-16,16'-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
(All-trans)-Lycopene-16,16'-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
19891-75-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
19891-75-9
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1O3DLI
Role
alias
Source
TCMBank
Preferred
No
Name
Lycopene-16,16'-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycopene-16,16'-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycopene-16,16'-diol, all-trans-
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycopene-16,16'-diol, all-trans-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycophyll [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycophyll [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
Lycophyll, all-trans-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lycophyll, all-trans-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-6008SB6YF0
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-6008SB6YF0
Role
alias
Source
HERB_v2
Preferred
No
Name
all-trans-Lycophyll
Role
alias
Source
itcmdb_public
Preferred
No
Name
all-trans-Lycophyll
Role
alias
Source
HERB_v2
Preferred
No
Name
psi,psi-carotene-1,1'-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
psi,psi-carotene-1,1'-diol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2Z,6Z,8Z,10Z,12Z,14Z,16E,18E,20E,24E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol(All-trans)-Lycopene-16,16'-diol19891-75-9AC1O3DLILycopene-16,16'-diolLycopene-16,16'-diol, all-trans-Lycophyll [MI]Lycophyll, all-trans-UNII-6008SB6YF0all-trans-Lycophyllpsi,psi-carotene-1,1'-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN033983
Tcmid
13215
Sym Map
SMIT16377
Pub Chem
5363599
Tcmbank
TCMBANKIN032118
Etcm Ingredient
Lycophyll
Itcmdb Generated
ITX-INGREDIENT-FCE44E0BD7FB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C40H56O2/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3/b10-9+,19-11+,20-12+,23-13+,24-14+,33-17+,34-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
Mol Wt
568.8860000000004
Smiles
CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)CO)C)C)CCC=C(C)CO
Mol Log P
10.88279999999999
Version
v1,v2
In Ch Ikey
JEVVKJMRZMXFBT-CCHFXWJWSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.127
Num Hacceptors
2
Isomeric Smiles
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(/CO)\C)/C)/C)/C)\C)\C)/CC/C=C(/CO)\C
Canonical Smiles
CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)CO)C)C)CCC=C(C)CO
Herb Alias Names
all-trans-LycophyllLycopene-16,16'-diolLycophyll, all-trans-Lycophyll [MI]Lycopene-16,16'-diol, all-trans-(All-trans)-Lycopene-16,16'-diol19891-75-9psi,psi-carotene-1,1'-diolUNII-6008SB6YF0
Molecular Weight
568.430
Molecular Weight
568.9 g/mol
Molecular Formula
C40H56O2
Molecular Formula
C40H56O2
Molecular Formula
C40H56O2
Num Rotatable Bonds
18
Fda Maximum Daily Dose (Fdamdd)
0.975
Quantitative Estimate Of Drug Likeness（Qed）
0.127