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
- 10818
- Core Entity Id
- 15187
- Source Entity Count
- 1
- Preferred Name
- Angenomalin
- Name En
- Pubchem Id
- 51520704
- Smiles Canonical
- CC(=C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
- Molecular Formula
- C14H12O3
- Molecular Weight
- 228.2470
- Inchikey
- WLRXMMDATRQQNQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H12O3/c1-8(2)12-7-10-11(16-12)5-3-9-4-6-13(15)17-14(9)10/h3-6,12H,1,7H2,2H3
- Isomeric Smiles
- CC(=C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
- Cas Id
- Ob Score
- Mol Logp
- 2.6726
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Angenomalin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Angenomalin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Angenomalin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
angenomalin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
18199-64-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
18199-64-9
Role
alias
Source
HERB_v2
Preferred
No
Name
8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-61061
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-61061
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00385940-01!8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00385940-01!8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
18199-64-98-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-oneDA-61061NCGC00385940-01!8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016120
Npass
NPC194258
Tcmid
1238
Pub Chem
515207045318874
Tcmbank
TCMBANKIN006388
Etcm Ingredient
Angenomalin
Itcmdb Generated
ITX-INGREDIENT-91F4262AE89E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H12O3/c1-8(2)12-7-10-11(16-12)5-3-9-4-6-13(15)17-14(9)10/h3-6,12H,1,7H2,2H3
Mol Wt
228.247
Smiles
CC(=C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Mol Log P
2.672600000000001
In Ch Ikey
WLRXMMDATRQQNQ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.556
Num Hacceptors
3
Isomeric Smiles
CC(=C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Canonical Smiles
CC(=C)C1CC2=C(O1)C=CC3=C2OC(=O)C=C3
Herb Alias Names
18199-64-98-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-oneDA-61061NCGC00385940-01!8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-2-one
Molecular Weight
228.080
Molecular Weight
228.24 g/mol
Molecular Formula
C14H12O3
Molecular Formula
C14H12O3
Molecular Formula
C14H12O3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.486
Quantitative Estimate Of Drug Likeness（Qed）
0.556