Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27687
- Core Entity Id
- 33958
- Source Entity Count
- 1
- Preferred Name
- (-)-nissolin
- Name En
- Pubchem Id
- 442812
- Smiles Canonical
- COC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)O
- Molecular Formula
- C16H14O5
- Molecular Weight
- 286.2830
- Inchikey
- FPRVFTCYJRERLF-FZMZJTMJSA-N
- Inchi
- InChI=1S/C16H14O5/c1-19-16-12(18)5-4-9-11-7-20-13-6-8(17)2-3-10(13)14(11)21-15(9)16/h2-6,11,14,17-18H,7H2,1H3/t11-,14-/m0/s1
- Isomeric Smiles
- COC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7161
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(-)-Nissolin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(-)-Nissolin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Nissolin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(-)-nissolin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-nissolin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lathyrus nissolia
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
(6aR,11aR)-10-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6aR,11aR)-10-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
73340-42-8
Role
alias
Source
HERB_v2
Preferred
No
Name
73340-42-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:105
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:105
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80331960
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80331960
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12070051
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12070051
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27105236
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27105236
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9DFW
Role
alias
Source
TCMBank
Preferred
No
Name
C10508
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Lathyrus nissolia(6aR,11aR)-10-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol73340-42-8CHEBI:105DTXSID80331960LMPK12070051Q27105236AC1L9DFWC10508
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN037043HBIN037044
Npass
NPC101466
Tcmid
1562031713
Sym Map
SMIT19389
Pub Chem
442812
Tcmbank
TCMBANKIN006680TCMBANKIN061647
Etcm Ingredient
(-)-Nissolin
Itcmdb Generated
ITX-INGREDIENT-0CB916ADC6CCITX-INGREDIENT-8CE176438A9D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14O5/c1-19-16-12(18)5-4-9-11-7-20-13-6-8(17)2-3-10(13)14(11)21-15(9)16/h2-6,11,14,17-18H,7H2,1H3/t11-,14-/m0/s1
Mol Wt
286.283
Smiles
COC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)O
Mol Log P
2.716100000000002
Version
v1,v2
In Ch Ikey
FPRVFTCYJRERLF-FZMZJTMJSA-N
Suppress
0
Tcm Name2
Lathyrus nissolia
Reference
658
Num Hdonors
2
Drug Likeness
0.843
Num Hacceptors
5
Isomeric Smiles
COC1=C(C=CC2=C1O[C@@H]3[C@H]2COC4=C3C=CC(=C4)O)O
Canonical Smiles
COC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4)O)O
Herb Alias Names
73340-42-8(6aR,11aR)-10-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diolCHEBI:105DTXSID80331960LMPK12070051Q27105236
Molecular Weight
286.080
Molecular Weight
286.28 g/mol
Molecular Formula
C16H14O5
Molecular Formula
C16H14O5
Molecular Formula
C16H14O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.485
Quantitative Estimate Of Drug Likeness（Qed）
0.843