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
- 28875
- Core Entity Id
- 35282
- Source Entity Count
- 1
- Preferred Name
- Pachycarin d
- Name En
- Pubchem Id
- 5320358
- Smiles Canonical
- COC1=CC=CC(=C1)C2=C(C(=O)C3=C(O2)C4=C(C=C3)OC=C4)OC
- Molecular Formula
- C19H14O5
- Molecular Weight
- 322.3160
- Inchikey
- YVBSPMSUQXSTRZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H14O5/c1-21-12-5-3-4-11(10-12)17-19(22-2)16(20)14-6-7-15-13(8-9-23-15)18(14)24-17/h3-10H,1-2H3
- Isomeric Smiles
- COC1=CC=CC(=C1)C2=C(C(=O)C3=C(O2)C4=C(C=C3)OC=C4)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.2234
- Num H Donors
- 0
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pachycarin D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pachycarin D
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Pachycarin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pachycarin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
苦檀子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KU TAN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Thickfruit Millettia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-methoxy-2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3-methoxy-2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
苦檀子KU TAN ZIThickfruit Millettia3-methoxy-2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038550
Npass
NPC155336
Tcmid
16481
Pub Chem
5320358
Tcmbank
TCMBANKIN048386
Etcm Ingredient
Pachycarin D
Itcmdb Generated
ITX-INGREDIENT-0DD809BC3635
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H14O5/c1-21-12-5-3-4-11(10-12)17-19(22-2)16(20)14-6-7-15-13(8-9-23-15)18(14)24-17/h3-10H,1-2H3
Mol Wt
322.316
Mol Log P
4.223400000000003
In Ch Ikey
YVBSPMSUQXSTRZ-UHFFFAOYSA-N
Tcm Name
苦檀子
Tcm Name2
KU TAN ZI
Mol2 Path
/TCM_database/2007_3d_all/16492.mol2
Reference
2147
Num Hdonors
0
Tcm Name En
Thickfruit Millettia
Drug Likeness
0.565
Num Hacceptors
5
Isomeric Smiles
COC1=CC=CC(=C1)C2=C(C(=O)C3=C(O2)C4=C(C=C3)OC=C4)OC
Canonical Smiles
COC1=CC=CC(=C1)C2=C(C(=O)C3=C(O2)C4=C(C=C3)OC=C4)OC
Herb Alias Names
3-methoxy-2-(3-methoxyphenyl)furo[2,3-h]chromen-4-one
Molecular Weight
322.080
Molecular Formula
C19H14O5
Molecular Formula
C19H14O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.133
Quantitative Estimate Of Drug Likeness（Qed）
0.565