Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 1Herb: 1Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25768
- Core Entity Id
- 31837
- Source Entity Count
- 1
- Preferred Name
- Medilla
- Name En
- Pubchem Id
- 5280567
- Smiles Canonical
- CC1=CC(=O)OC2=C1C=CC(=C2)O
- Molecular Formula
- C10H8O3
- Molecular Weight
- 176.1710
- Inchikey
- HSHNITRMYYLLCV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
- Isomeric Smiles
- CC1=CC(=O)OC2=C1C=CC(=C2)O
- Cas Id
- 90-33-5
- Ob Score
- 35.0780
- Mol Logp
- 1.8070
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6230
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Medilla
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Medilla
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Medilla
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Medilla
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2H-1-Benzopyran, 7-hydroxy-4-methyl-2-oxo-
Role
alias
Source
TCMBank
Preferred
No
Name
2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
4-MU
Role
alias
Source
TCMBank
Preferred
No
Name
4-Methyl-7-hydroxycoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
4-Methylumbelliferon
Role
alias
Source
TCMBank
Preferred
No
Name
4-Methylumbelliferon [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
4-methylumbelliferone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-methylumbelliferone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-methylumbelliferone
Role
alias
Source
TCMBank
Preferred
No
Name
5-18-01-00439 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
56275-29-7
Role
alias
Source
TCMBank
Preferred
No
Name
69580_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
7-HYDROXY-4-METHYLCOUMARIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-HYDROXY-4-METHYLCOUMARIN
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran
Role
alias
Source
TCMBank
Preferred
No
Name
7-Hydroxy-4-methyl-2H-2-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
7-Hydroxy-4-methyl-2H-chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hydroxy-4-methyl-2H-chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-4-methyl-2-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
7-hydroxy-4-methyl-2H-chromen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
7-hydroxy-4-methyl-chromen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
7-hydroxy-4-methyl-coumarin
Role
alias
Source
TCMBank
Preferred
No
Name
90-33-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
90-33-5
Role
alias
Source
TCMBank
Preferred
No
Name
90-33-5
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_002401
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-08085
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-018190
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_000818
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0142217
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_000742
Role
alias
Source
TCMBank
Preferred
No
Name
Bilcolic
Role
alias
Source
TCMBank
Preferred
No
Name
Bilicante
Role
alias
Source
TCMBank
Preferred
No
Name
C03081
Role
alias
Source
TCMBank
Preferred
No
Name
CAS-90-33-5
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 5926
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:17224
Role
alias
Source
TCMBank
Preferred
No
Name
CPD-182
Role
alias
Source
TCMBank
Preferred
No
Name
Cantabilin
Role
alias
Source
TCMBank
Preferred
No
Name
Cantabiline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cantabiline
Role
alias
Source
TCMBank
Preferred
No
Name
Cantabiline
Role
alias
Source
HERB_v2
Preferred
No
Name
Cantabiline (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Cholestil
Role
alias
Source
HERB_v2
Preferred
No
Name
Cholestil
Role
alias
Source
TCMBank
Preferred
No
Name
Cholestil
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cholonerton
Role
alias
Source
TCMBank
Preferred
No
Name
Coumarin 4
Role
alias
Source
TCMBank
Preferred
No
Name
Coumarin, 7-hydroxy-4-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Crodimon
Role
alias
Source
TCMBank
Preferred
No
Name
Cumarote-C
Role
alias
Source
TCMBank
Preferred
No
Name
D00170
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 201-986-7
Role
alias
Source
TCMBank
Preferred
No
Name
Eurogale
Role
alias
Source
TCMBank
Preferred
No
Name
Himecromona [INN-Spanish]
Role
alias
Source
TCMBank
Preferred
No
Name
Hymecromon
Role
alias
Source
TCMBank
Preferred
No
Name
Hymecromone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hymecromone
Role
alias
Source
HERB_v2
Preferred
No
Name
Hymecromone
Role
alias
Source
TCMBank
Preferred
No
Name
Hymecromone (JP15/USAN/INN)
Role
alias
Source
TCMBank
Preferred
No
Name
Hymecromone [USAN:INN:JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Hymecromonum [INN-Latin]
Role
alias
Source
TCMBank
Preferred
No
Name
Imecromone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Imecromone
Role
alias
Source
TCMBank
Preferred
No
Name
Imecromone
Role
alias
Source
HERB_v2
Preferred
No
Name
Imecromone [DCIT]
Role
alias
Source
TCMBank
Preferred
No
Name
LM-94
Role
alias
Source
TCMBank
Preferred
No
Name
M1381_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxp0_001898
Role
alias
Source
TCMBank
Preferred
No
Name
METHYLUMBELLIFERONE, BETA
Role
alias
Source
TCMBank
Preferred
No
Name
MLS001074671
Role
alias
Source
TCMBank
Preferred
No
Name
Maybridge1_002078
Role
alias
Source
TCMBank
Preferred
No
Name
Mendiaxon
Role
alias
Source
HERB_v2
Preferred
No
Name
Mendiaxon
Role
alias
Source
TCMBank
Preferred
No
Name
Mendiaxon
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00016345-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_042099
Role
alias
Source
TCMBank
Preferred
No
Name
NSC19026
Role
alias
Source
TCMBank
Preferred
No
Name
NSC9408
Role
alias
Source
TCMBank
Preferred
No
Name
Omega 127
Role
alias
Source
TCMBank
Preferred
No
Name
Pilot 447
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick0_000901
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick1_000901
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick2_000901
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick3_000901
Role
alias
Source
TCMBank
Preferred
No
Name
SBB009085
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000471886
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_002941
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000637483-1
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T66 BOVJ E1 IQ
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00058121
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Methylumbelliferone
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Methylumbelliferone
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Methylumbelliferone
Role
alias
Source
itcmdb_public
Preferred
No
Name
nchembio.2007.28-comp4
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2H-1-Benzopyran, 7-hydroxy-4-methyl-2-oxo-2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-4-MU4-Methyl-7-hydroxycoumarin4-Methylumbelliferon4-Methylumbelliferon [Czech]4-methylumbelliferone5-18-01-00439 (Beilstein Handbook Reference)56275-29-769580_FLUKA7-HYDROXY-4-METHYLCOUMARIN7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran7-Hydroxy-4-methyl-2H-2-chromenone7-Hydroxy-4-methyl-2H-chromen-2-one7-hydroxy-4-methyl-2-chromenone7-hydroxy-4-methyl-chromen-2-one7-hydroxy-4-methyl-coumarin90-33-5ACon1_002401AI3-08085AIDS-018190BPBio1_000818BRN 0142217BSPBio_000742BilcolicBilicanteC03081CAS-90-33-5CCRIS 5926CHEBI:17224CPD-182CantabilinCantabilineCantabiline (TN)CholestilCholonertonCoumarin 4Coumarin, 7-hydroxy-4-methyl-CrodimonCumarote-CD00170EINECS 201-986-7EurogaleHimecromona [INN-Spanish]HymecromonHymecromoneHymecromone (JP15/USAN/INN)Hymecromone [USAN:INN:JAN]Hymecromonum [INN-Latin]ImecromoneImecromone [DCIT]LM-94M1381_SIGMAMEGxp0_001898METHYLUMBELLIFERONE, BETAMLS001074671Maybridge1_002078MendiaxonNCGC00016345-01NCI60_042099NSC19026NSC9408Omega 127Pilot 447Prestwick0_000901Prestwick1_000901Prestwick2_000901Prestwick3_000901SBB009085SMR000471886SPBio_002941SR-01000637483-1WLN: T66 BOVJ E1 IQZINC00058121beta-Methylumbelliferonenchembio.2007.28-comp4
Cross References
Trusted external identifiers retained for this final record.
Cas
90-33-5
Herb
HBIN034630
Npass
NPC52247
Tcmsp
MOL001228
Sym Map
SMIT03677
Pub Chem
5280567
Tcmbank
TCMBANKIN033547
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
Mol Wt
176.171
Cas Id
90-33-5
Smiles
CC1=CC(=O)OC2=C1C=CC(=C2)O
Mol Log P
1.80702
Version
v1,v2
In Ch Ikey
HSHNITRMYYLLCV-UHFFFAOYSA-N
Ob Score
35.07835.07841835.07841809
Suppress
0
Num Hdonors
1
Drug Likeness
0.623
Num Hacceptors
3
Isomeric Smiles
CC1=CC(=O)OC2=C1C=CC(=C2)O
Molecule Weight
176.18
Canonical Smiles
CC1=CC(=O)OC2=C1C=CC(=C2)O
Herb Alias Names
4-methylumbelliferone90-33-5Hymecromone7-HYDROXY-4-METHYLCOUMARIN7-Hydroxy-4-methyl-2H-chromen-2-oneImecromonebeta-MethylumbelliferoneCantabilineCholestilMendiaxon
Molecular Weight
176.17
Molecular Formula
C10H8O3
Molecular Formula
C10H8O3
Num Rotatable Bonds
0