Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24189
- Core Entity Id
- 30072
- Source Entity Count
- 1
- Preferred Name
- Lapathinol
- Name En
- Pubchem Id
- 14630594
- Smiles Canonical
- COC1=C2C(=C(C3=C1OCO3)O)C(C(CO2)C4=CC=CC=C4)O
- Molecular Formula
- C17H16O6
- Molecular Weight
- 316.3090
- Inchikey
- ZMBBHXKABSUVRA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O6/c1-20-16-14-11(13(19)15-17(16)23-8-22-15)12(18)10(7-21-14)9-5-3-2-4-6-9/h2-6,10,12,18-19H,7-8H2,1H3
- Isomeric Smiles
- COC1=C2C(=C(C3=C1OCO3)O)C(C(CO2)C4=CC=CC=C4)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3391
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lapathinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lapathinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lapathinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-Hydroxy-8-methoxy-6,7-methylenedioxyisoflavan-4-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Hydroxy-8-methoxy-6,7-methylenedioxyisoflavan-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12080059
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12080059
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5-Hydroxy-8-methoxy-6,7-methylenedioxyisoflavan-4-olLMPK12080059
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032648
Npass
NPC34359
Tcmid
12499
Pub Chem
14630594
Tcmbank
TCMBANKIN046689
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O6/c1-20-16-14-11(13(19)15-17(16)23-8-22-15)12(18)10(7-21-14)9-5-3-2-4-6-9/h2-6,10,12,18-19H,7-8H2,1H3
Mol Wt
316.309
Smiles
COC1=C2C(=C(C3=C1OCO3)O)C(C(CO2)C4=CC=CC=C4)O
Mol Log P
2.3391
In Ch Ikey
ZMBBHXKABSUVRA-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/12504.mol2
Reference
660
Num Hdonors
2
Drug Likeness
0.885
Num Hacceptors
6
Isomeric Smiles
COC1=C2C(=C(C3=C1OCO3)O)C(C(CO2)C4=CC=CC=C4)O
Canonical Smiles
COC1=C2C(=C(C3=C1OCO3)O)C(C(CO2)C4=CC=CC=C4)O
Herb Alias Names
5-Hydroxy-8-methoxy-6,7-methylenedioxyisoflavan-4-olLMPK12080059
Molecular Weight
316.3 g/mol
Molecular Formula
C17H16O6
Molecular Formula
C17H16O6
Num Rotatable Bonds
2