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
- 11417
- Core Entity Id
- 15857
- Source Entity Count
- 1
- Preferred Name
- Aristolophenanlactone i
- Name En
- Pubchem Id
- 5320124
- Smiles Canonical
- COC1=CC=CC2=C3C4=C(C(=C21)O)OC(=O)C4=CC5=C3OCO5
- Molecular Formula
- C17H10O6
- Molecular Weight
- 310.2610
- Inchikey
- ADPJAKSPWNSSMO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H10O6/c1-20-9-4-2-3-7-11(9)14(18)16-13-8(17(19)23-16)5-10-15(12(7)13)22-6-21-10/h2-5,18H,6H2,1H3
- Isomeric Smiles
- COC1=CC=CC2=C1C(=C3C4=C2C5=C(C=C4C(=O)O3)OCO5)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9685
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aristolophenanlactone i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aristolophenanlactone i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
aristolophenanlactone i
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016828
Tcmid
1724
Pub Chem
5320124
Tcmbank
TCMBANKIN008093
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H10O6/c1-20-9-4-2-3-7-11(9)14(18)16-13-8(17(19)23-16)5-10-15(12(7)13)22-6-21-10/h2-5,18H,6H2,1H3
Mol Wt
310.261
Smiles
COC1=CC=CC2=C3C4=C(C(=C21)O)OC(=O)C4=CC5=C3OCO5
Mol Log P
2.968500000000001
In Ch Ikey
ADPJAKSPWNSSMO-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.423
Num Hacceptors
6
Isomeric Smiles
COC1=CC=CC2=C1C(=C3C4=C2C5=C(C=C4C(=O)O3)OCO5)O
Canonical Smiles
COC1=CC=CC2=C1C(=C3C4=C2C5=C(C=C4C(=O)O3)OCO5)O
Molecular Formula
C17H10O6
Molecular Formula
C17H10O6
Num Rotatable Bonds
1