Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24048
- Core Entity Id
- 29915
- Source Entity Count
- 1
- Preferred Name
- Laccol
- Name En
- Pubchem Id
- 119222
- Smiles Canonical
- CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O
- Molecular Formula
- C23H36O2
- Molecular Weight
- 344.5390
- Inchikey
- FUOWEJHSBRKZIE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25/h14-20,24-25H,2-13H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCC=CC=CC1=C(C(=CC=C1)O)O
- Cas Id
- Ob Score
- Mol Logp
- 7.3683
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.2100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Laccol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Laccol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Laccol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
laccol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2-Benzenediol, 3-(heptadecadienyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Benzenediol, 3-(heptadecadienyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(Heptadeca-1,3-dien-1-yl)benzene-1,2-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(Heptadeca-1,3-dien-1-yl)benzene-1,2-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Heptadecadienyl pyrocatechol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Heptadecadienyl pyrocatechol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Heptadecadienyl-1,2-catechol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Heptadecadienyl-1,2-catechol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-n-heptadecadienylcatechol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-n-heptadecadienylcatechol
Role
alias
Source
HERB_v2
Preferred
No
Name
76607-95-9
Role
alias
Source
HERB_v2
Preferred
No
Name
76607-95-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50997936
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50997936
Role
alias
Source
itcmdb_public
Preferred
No
Name
林背子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LIN BEI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
FieId Lacquertree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,2-Benzenediol, 3-(heptadecadienyl)-3-(Heptadeca-1,3-dien-1-yl)benzene-1,2-diol3-Heptadecadienyl pyrocatechol3-Heptadecadienyl-1,2-catechol3-n-heptadecadienylcatechol76607-95-9DTXSID50997936林背子LIN BEI ZIFieId Lacquertree
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032510
Npass
NPC196433
Tcmid
12423
Pub Chem
119222131273
Tcmbank
TCMBANKIN002560TCMBANKIN056334
Etcm Ingredient
Laccol
Itcmdb Generated
ITX-INGREDIENT-F2B6B6426BD4ITX-INGREDIENT-4C08137C8D15
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(24)23(21)25/h14-20,24-25H,2-13H2,1H3
Mol Wt
344.539
Smiles
CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)O
Mol Log P
7.368300000000009
In Ch Ikey
FUOWEJHSBRKZIE-UHFFFAOYSA-N
Tcm Name
林背子
Tcm Name2
LIN BEI ZI
Mol2 Path
/TCM_database/2003_3d_all/4787.mol2
Reference
6
Num Hdonors
2
Tcm Name En
FieId Lacquertree
Drug Likeness
0.21
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCC=CC=CC1=C(C(=CC=C1)O)O
Canonical Smiles
CCCCCCCCCCCCCC=CC=CC1=C(C(=CC=C1)O)O
Herb Alias Names
3-Heptadecadienyl pyrocatechol3-Heptadecadienyl-1,2-catechol76607-95-91,2-Benzenediol, 3-(heptadecadienyl)-3-n-heptadecadienylcatecholDTXSID509979363-(Heptadeca-1,3-dien-1-yl)benzene-1,2-diol
Molecular Weight
348.300
Molecular Weight
348.6 g/mol
Molecular Formula
C23H40O2
Molecular Formula
C23H40O2
Molecular Formula
C23H36O2
Num Rotatable Bonds
14
Fda Maximum Daily Dose (Fdamdd)
0.031
Quantitative Estimate Of Drug Likeness（Qed）
0.240