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
- 13939
- Core Entity Id
- 18662
- Source Entity Count
- 1
- Preferred Name
- Cauliflorin a
- Name En
- Pubchem Id
- 636768
- Smiles Canonical
- COC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)OC=C4
- Molecular Formula
- C18H12O4
- Molecular Weight
- 292.2900
- Inchikey
- OHKLPDQPGIVELF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H12O4/c1-20-12-4-2-3-11(9-12)17-10-15(19)13-5-6-16-14(7-8-21-16)18(13)22-17/h2-10H,1H3
- Isomeric Smiles
- COC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)OC=C4
- Cas Id
- Ob Score
- Mol Logp
- 4.2148
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cauliflorin A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cauliflorin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cauliflorin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cauliflorin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
红萼鸡血藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG E JI XUE TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Redcalyx Millettia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3-methoxyphenyl)uro[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(3-methoxyphenyl)uro[2,3-h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:196228
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:196228
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3581062
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3581062
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12110012
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12110012
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pongol methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Pongol methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL21828763
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL21828763
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红萼鸡血藤HONG E JI XUE TENGRedcalyx Millettia*2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one2-(3-methoxyphenyl)uro[2,3-h]chromen-4-oneCHEBI:196228CHEMBL3581062LMPK12110012Pongol methyl etherSCHEMBL21828763
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019972
Npass
NPC130015
Tcmid
3334
Tcm Id
17309
Pub Chem
636768
Tcmbank
TCMBANKIN044437TCMBANKIN061862
Etcm Ingredient
Cauliflorin A
Itcmdb Generated
ITX-INGREDIENT-CE266D5328ABITX-INGREDIENT-F974F8682B10
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H12O4/c1-20-12-4-2-3-11(9-12)17-10-15(19)13-5-6-16-14(7-8-21-16)18(13)22-17/h2-10H,1H3
Mol Wt
292.29
Smiles
COC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)OC=C4
Mol Log P
4.214800000000003
In Ch Ikey
OHKLPDQPGIVELF-UHFFFAOYSA-N
Tcm Name
红萼鸡血藤
Tcm Name2
HONG E JI XUE TENG
Mol2 Path
/TCM_database/2007_3d_all/03334.mol2
Reference
2456, 4624
Num Hdonors
0
Tcm Name En
Redcalyx Millettia*
Drug Likeness
0.555
Num Hacceptors
4
Isomeric Smiles
COC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)OC=C4
Canonical Smiles
COC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)OC=C4
Herb Alias Names
Pongol methyl ether2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one2-(3-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-oneCHEMBL3581062SCHEMBL21828763CHEBI:196228LMPK121100122-(3-methoxyphenyl)uro[2,3-h]chromen-4-one2-(3-Methoxy-phenyl)-furo[2,3-h]chromen-4-one
Molecular Weight
292.070
Molecular Weight
292.3 g/mol
Molecular Formula
C18H12O4
Molecular Formula
C18H12O4
Molecular Formula
C18H12O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.614
Quantitative Estimate Of Drug Likeness（Qed）
0.555