Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18494
- Core Entity Id
- 23734
- Source Entity Count
- 1
- Preferred Name
- Erylatissin b
- Name En
- Pubchem Id
- 11186717
- Smiles Canonical
- CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O)C
- Molecular Formula
- C20H16O5
- Molecular Weight
- 336.3430
- Inchikey
- XOMNYGJNLZNDOL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H16O5/c1-20(2)6-5-11-7-12(8-16(22)19(11)25-20)15-10-24-17-9-13(21)3-4-14(17)18(15)23/h3-10,21-22H,1-2H3
- Isomeric Smiles
- CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0554
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erylatissin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Erylatissin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erylatissin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
erylatissin b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7,3'-Dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano (2'',3'': 4',5')isoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,3'-dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano [2'',3'': 4',5']isoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8'-dihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8'-dihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
847976-82-3
Role
alias
Source
HERB_v2
Preferred
No
Name
847976-82-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65864
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65864
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4064250
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4064250
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27134356
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27134356
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
7,3'-Dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano (2'',3'': 4',5')isoflavone7,3'-dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano [2'',3'': 4',5']isoflavone7,8'-dihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one847976-82-3CHEBI:65864CHEMBL4064250Q27134356
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025643
Npass
NPC108859
Tcmid
7305
Pub Chem
11186717
Tcmbank
TCMBANKIN050388
Etcm Ingredient
Erylatissin B
Itcmdb Generated
ITX-INGREDIENT-5725BD5A9780
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H16O5/c1-20(2)6-5-11-7-12(8-16(22)19(11)25-20)15-10-24-17-9-13(21)3-4-14(17)18(15)23/h3-10,21-22H,1-2H3
Mol Wt
336.343
Smiles
CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O)C
Mol Log P
4.055400000000002
In Ch Ikey
XOMNYGJNLZNDOL-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/07306.mol2
Reference
5247
Num Hdonors
2
Drug Likeness
0.7
Num Hacceptors
5
Isomeric Smiles
CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O)C
Canonical Smiles
CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O)C
Herb Alias Names
CHEBI:658647,8'-dihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one7,3'-dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano [2'',3'': 4',5']isoflavone7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one7,3'-Dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano (2'',3'': 4',5')isoflavoneCHEMBL4064250Q271343567,3'-Dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano(2'',3'': 4',5')isoflavone847976-82-3
Molecular Weight
336.100
Molecular Weight
336.3 g/mol
Molecular Formula
C20H16O5
Molecular Formula
C20H16O5
Molecular Formula
C20H16O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.895
Quantitative Estimate Of Drug Likeness（Qed）
0.700