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
- 26554
- Core Entity Id
- 32704
- Source Entity Count
- 1
- Preferred Name
- Mollisacacidin
- Name En
- Pubchem Id
- 164762
- Smiles Canonical
- C1=CC(=C(C=C1C2C(C(C3=C(O2)C=C(C=C3)O)O)O)O)O
- Molecular Formula
- C15H14O6
- Molecular Weight
- 290.2710
- Inchikey
- OFZBQQUVMQGHDJ-QLFBSQMISA-N
- Inchi
- InChI=1S/C15H14O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,13-20H/t13-,14+,15-/m1/s1
- Isomeric Smiles
- C1=CC(=C(C=C1[C@@H]2[C@H]([C@@H](C3=C(O2)C=C(C=C3)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.3314
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5070
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mollisacacidin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Mollisacacidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Mollisacacidin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
柔金合欢
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ROU JIN HE HUAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Black Wattle
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-MOLLISACACIDIN
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-MOLLISACACIDIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
967-27-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
967-27-1
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:196286
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:196286
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50914385
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50914385
Role
alias
Source
HERB_v2
Preferred
No
Name
Fisetinidol-4alpha-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fisetinidol-4alpha-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Leuco-fisetinidin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Leuco-fisetinidin
Role
alias
Source
HERB_v2
Preferred
No
Name
Oprea1_313830
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oprea1_313830
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9161330
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9161330
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
柔金合欢ROU JIN HE HUANBlack Wattle(+)-MOLLISACACIDIN(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol967-27-1CHEBI:196286DTXSID50914385Fisetinidol-4alpha-olLeuco-fisetinidinOprea1_313830SCHEMBL9161330
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035632
Npass
NPC158587
Tcmid
14891
Pub Chem
164762
Tcmbank
TCMBANKIN048945
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H14O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,13-20H/t13-,14+,15-/m1/s1
Mol Wt
290.271
Mol Log P
1.331400000000001
In Ch Ikey
OFZBQQUVMQGHDJ-QLFBSQMISA-N
Tcm Name
柔金合欢
Tcm Name2
ROU JIN HE HUAN
Mol2 Path
/TCM_database/2007_3d_all/14899.mol2
Reference
5505
Num Hdonors
5
Tcm Name En
Black Wattle
Drug Likeness
0.507
Num Hacceptors
6
Isomeric Smiles
C1=CC(=C(C=C1[C@@H]2[C@H]([C@@H](C3=C(O2)C=C(C=C3)O)O)O)O)O
Canonical Smiles
C1=CC(=C(C=C1C2C(C(C3=C(O2)C=C(C=C3)O)O)O)O)O
Herb Alias Names
(+)-MOLLISACACIDINFisetinidol-4alpha-ol967-27-1(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triolLeuco-fisetinidinOprea1_313830SCHEMBL9161330DTXSID50914385CHEBI:196286
Molecular Weight
290.27 g/mol
Molecular Formula
C15H14O6
Num Rotatable Bonds
1