Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Trial: 8Herb: 12Ingredient: 1Reference: 2Target: 12Links: 34
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36232
- Core Entity Id
- 43465
- Source Entity Count
- 1
- Preferred Name
- Uvadex
- Name En
- Pubchem Id
- 4114
- Smiles Canonical
- COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
- Molecular Formula
- C12H8O4
- Molecular Weight
- 216.1920
- Inchikey
- QXKHYNVANLEOEG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
- Isomeric Smiles
- COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
- Cas Id
- 12692-94-3
- Ob Score
- 35.2956
- Mol Logp
- 2.5478
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5860
- Polar Surface Area
- 48.6700
- Molecular Volume
- 155.3700
- Alogp
- 2.1870
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uvadex
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Uvadex
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Uvadex
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Uvadex
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-32-2
Role
alias
Source
TCMBank
Preferred
No
Name
12692-94-3
Role
alias
Source
TCMBank
Preferred
No
Name
298-81-7
Role
alias
Source
HERB_v2
Preferred
No
Name
298-81-7
Role
alias
Source
TCMBank
Preferred
No
Name
298-81-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
298M817
Role
alias
Source
TCMBank
Preferred
No
Name
4CN-0934
Role
alias
Source
TCMBank
Preferred
No
Name
5-19-06-00015 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone
Role
alias
Source
TCMBank
Preferred
No
Name
5-Demethoxyisoimpinellin
Role
alias
Source
TCMBank
Preferred
No
Name
6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone
Role
alias
Source
TCMBank
Preferred
No
Name
7-Furocoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
7H-Furo[3, 9-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
8-METHOXYPSORALEN + UVA (SEE ALSO C55903)
Role
alias
Source
TCMBank
Preferred
No
Name
8-MOP
Role
alias
Source
TCMBank
Preferred
No
Name
8-MOP
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-MOP
Role
alias
Source
HERB_v2
Preferred
No
Name
8-MOP Capsules
Role
alias
Source
TCMBank
Preferred
No
Name
8-MP
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxy
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxy-2',3',6,7-furocoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxy-2',6,7-furocoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxy-4',5',6,7-furocoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxy-4',6,7-furocoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxy-6,7-furanocoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxyfuranocoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxypsoralen
Role
alias
Source
HERB_v2
Preferred
No
Name
8-Methoxypsoralen
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-Methoxypsoralen with ultraviolet A therapy
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxypsoralen, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
8-Methoxypsoralene
Role
alias
Source
TCMBank
Preferred
No
Name
8-methoxy-[furano-3''.2'':6.7-coumarin]
Role
alias
Source
TCMBank
Preferred
No
Name
8-methoxyfuranocoumarins
Role
alias
Source
TCMBank
Preferred
No
Name
8-methoxyfurocoumarins
Role
alias
Source
TCMBank
Preferred
No
Name
8-methoxypsoralen
Role
alias
Source
TCMBank
Preferred
No
Name
8MO
Role
alias
Source
TCMBank
Preferred
No
Name
9-(methyloxy)-7H-furo[3,2-g]chromen-7-one
Role
alias
Source
TCMBank
Preferred
No
Name
9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one
Role
alias
Source
TCMBank
Preferred
No
Name
9-Methoxy-7H-furo[3,2-g]chromen-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
9-Methoxy-7H-furo[3,2-g]chromen-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Methoxy-7H-furo[3,2-g]chromen-7-one #
Role
alias
Source
TCMBank
Preferred
No
Name
9-Methoxyfuro(3,2-g)chromen-7-one
Role
alias
Source
TCMBank
Preferred
No
Name
9-Methoxyfuro[3,2-g][1]benzopyran-7-one
Role
alias
Source
TCMBank
Preferred
No
Name
9-Methoxypsoralen
Role
alias
Source
TCMBank
Preferred
No
Name
9-metho xy-7H-furo(3,2-g)benzopyran-7-one
Role
alias
Source
TCMBank
Preferred
No
Name
9-methoxy-7-furo[3,2-g]chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
9-methoxyfurano[3,2-g]chromen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
A1783/0075596
Role
alias
Source
TCMBank
Preferred
No
Name
AB00052042-14
Role
alias
Source
TCMBank
Preferred
No
Name
AB00052042-15
Role
alias
Source
TCMBank
Preferred
No
Name
AB00052042_16
Role
alias
Source
TCMBank
Preferred
No
Name
AB00052042_17
Role
alias
Source
TCMBank
Preferred
No
Name
AB2000388
Role
alias
Source
TCMBank
Preferred
No
Name
AC-4259
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1HFY
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_000174
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS001590
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-39565
Role
alias
Source
TCMBank
Preferred
No
Name
AK111265
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS000277012
Role
alias
Source
TCMBank
Preferred
No
Name
AM84906
Role
alias
Source
TCMBank
Preferred
No
Name
AN-12178
Role
alias
Source
TCMBank
Preferred
No
Name
API0008254
Role
alias
Source
TCMBank
Preferred
No
Name
AX8020056
Role
alias
Source
TCMBank
Preferred
No
Name
Ammodin
Role
alias
Source
TCMBank
Preferred
No
Name
Ammoidin
Role
alias
Source
TCMBank
Preferred
No
Name
BC204608
Role
alias
Source
TCMBank
Preferred
No
Name
BC4157549
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50041234
Role
alias
Source
TCMBank
Preferred
No
Name
BG00605120
Role
alias
Source
TCMBank
Preferred
No
Name
BG01521511
Role
alias
Source
TCMBank
Preferred
No
Name
BG0479
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_000680
Role
alias
Source
TCMBank
Preferred
No
Name
BRD-K63430059-001-03-2
Role
alias
Source
TCMBank
Preferred
No
Name
BRD-K63430059-001-06-5
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0196453
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_000618
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_001997
Role
alias
Source
TCMBank
Preferred
No
Name
Boehringer Ingelheim Brand of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
C-11618
Role
alias
Source
TCMBank
Preferred
No
Name
C01864
Role
alias
Source
TCMBank
Preferred
No
Name
CAS-298-81-7
Role
alias
Source
TCMBank
Preferred
No
Name
CC-30277
Role
alias
Source
TCMBank
Preferred
No
Name
CCG-36366
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 2083
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:18358
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL416
Role
alias
Source
TCMBank
Preferred
No
Name
CM-131
Role
alias
Source
TCMBank
Preferred
No
Name
CPD000071170
Role
alias
Source
TCMBank
Preferred
No
Name
CS-1983
Role
alias
Source
TCMBank
Preferred
No
Name
Canderm Brand of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
Chinoin Brand of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
D00139
Role
alias
Source
TCMBank
Preferred
No
Name
D08SKH
Role
alias
Source
TCMBank
Preferred
No
Name
DB Brand of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
DB00553
Role
alias
Source
TCMBank
Preferred
No
Name
DRG-0088
Role
alias
Source
TCMBank
Preferred
No
Name
DS-5159
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_CID_830
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_GSID_20830
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_RID_75816
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID8020830
Role
alias
Source
TCMBank
Preferred
No
Name
Delta Brand of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
Deltapsoralen
Role
alias
Source
TCMBank
Preferred
No
Name
Deltasoralen
Role
alias
Source
TCMBank
Preferred
No
Name
Dermatech Brand of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
Dermox
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_000763
Role
alias
Source
TCMBank
Preferred
No
Name
Dltasoralen
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 206-066-9
Role
alias
Source
TCMBank
Preferred
No
Name
EN300-52504
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0082222
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0602101
Role
alias
Source
TCMBank
Preferred
No
Name
GP5578
Role
alias
Source
TCMBank
Preferred
No
Name
Galderma Brand of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
Geroxalen
Role
alias
Source
TCMBank
Preferred
No
Name
HMS1569O20
Role
alias
Source
TCMBank
Preferred
No
Name
HMS1920N05
Role
alias
Source
TCMBank
Preferred
No
Name
HMS2091D20
Role
alias
Source
TCMBank
Preferred
No
Name
HMS2096O20
Role
alias
Source
TCMBank
Preferred
No
Name
HMS2269P03
Role
alias
Source
TCMBank
Preferred
No
Name
HMS3259L13
Role
alias
Source
TCMBank
Preferred
No
Name
HMS3655B05
Role
alias
Source
TCMBank
Preferred
No
Name
HMS502G05
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 2505
Role
alias
Source
TCMBank
Preferred
No
Name
HY-30151
Role
alias
Source
TCMBank
Preferred
No
Name
I06-0695
Role
alias
Source
TCMBank
Preferred
No
Name
ICN Brand 1 of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
ICN Brand 2 of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
ICN Brand 3 of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
IDI1_000763
Role
alias
Source
TCMBank
Preferred
No
Name
J10204
Role
alias
Source
TCMBank
Preferred
No
Name
JC10026
Role
alias
Source
TCMBank
Preferred
No
Name
Jsp005650
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_000763
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_001503
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_004071
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_006639
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_001497
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_000543
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_001503
Role
alias
Source
TCMBank
Preferred
No
Name
KS-00000J91
Role
alias
Source
TCMBank
Preferred
No
Name
LS-68
Role
alias
Source
TCMBank
Preferred
No
Name
M3501_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-2500932325
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxp0_000095
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00005009
Role
alias
Source
TCMBank
Preferred
No
Name
MLS000062633
Role
alias
Source
TCMBank
Preferred
No
Name
MLS002303011
Role
alias
Source
TCMBank
Preferred
No
Name
Meladinin
Role
alias
Source
TCMBank
Preferred
No
Name
Meladinin (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Meladinina
Role
alias
Source
TCMBank
Preferred
No
Name
Meladinine
Role
alias
Source
HERB_v2
Preferred
No
Name
Meladinine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Meladinine
Role
alias
Source
TCMBank
Preferred
No
Name
Meladoxen
Role
alias
Source
TCMBank
Preferred
No
Name
Meloxine
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxa-Dome
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxalen
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxaten
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen (JP15/USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen (JP17/USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen (Oxsoralen)
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen Canderm Brand
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen Chinoin Brand
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen Delta Brand
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen Dermatech Brand
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen Mex-America Brand
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen Sanofi-Synthelabo Brand
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen [BAN:JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen [USP:BAN:JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen plus ultraviolet radiation
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen with ultra-violet A theraphy
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen, 8-
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalen, United States Pharmacopeia (USP) Reference Standard
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxsalene
Role
alias
Source
TCMBank
Preferred
No
Name
Methoxy-8-psoralen
Role
alias
Source
TCMBank
Preferred
No
Name
Metoxaleno
Role
alias
Source
TCMBank
Preferred
No
Name
Mex-America Brand of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-000-696-480
Role
alias
Source
TCMBank
Preferred
No
Name
N1305
Role
alias
Source
TCMBank
Preferred
No
Name
NC00652
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-06
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-07
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-08
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-09
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-10
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-11
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-12
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-14
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00016418-15
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00060938-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00060938-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00060938-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00060938-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00060938-06
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00178871-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00178871-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00178871-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00256435-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00259316-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI-C55903
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_004085
Role
alias
Source
TCMBank
Preferred
No
Name
NINDS_000763
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 45923
Role
alias
Source
TCMBank
Preferred
No
Name
NSC757114
Role
alias
Source
TCMBank
Preferred
No
Name
New-Meladinin
Role
alias
Source
TCMBank
Preferred
No
Name
O-methylxanthotoxol
Role
alias
Source
TCMBank
Preferred
No
Name
OXSORALEN (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Oprea1_166319
Role
alias
Source
TCMBank
Preferred
No
Name
Oxoralen
Role
alias
Source
TCMBank
Preferred
No
Name
Oxsoralen
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxsoralen
Role
alias
Source
TCMBank
Preferred
No
Name
Oxsoralen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxsoralen Ultra
Role
alias
Source
TCMBank
Preferred
No
Name
Oxsoralen lotion
Role
alias
Source
TCMBank
Preferred
No
Name
Oxypsoralen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oxypsoralen
Role
alias
Source
HERB_v2
Preferred
No
Name
Oxypsoralen
Role
alias
Source
TCMBank
Preferred
No
Name
Pharmakon1600-01500400
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick0_000479
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick1_000479
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick2_000479
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick3_000479
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick_661
Role
alias
Source
TCMBank
Preferred
No
Name
Proralone-mop
Role
alias
Source
TCMBank
Preferred
No
Name
Psoralen-mop
Role
alias
Source
TCMBank
Preferred
No
Name
Psoralon-MOP
Role
alias
Source
TCMBank
Preferred
No
Name
Puvalen
Role
alias
Source
TCMBank
Preferred
No
Name
Puvamet
Role
alias
Source
TCMBank
Preferred
No
Name
Q-100381
Role
alias
Source
TCMBank
Preferred
No
Name
Q039
Role
alias
Source
TCMBank
Preferred
No
Name
QXKHYNVANLEOEG-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
SAM002548974
Role
alias
Source
TCMBank
Preferred
No
Name
SAM002564221
Role
alias
Source
TCMBank
Preferred
No
Name
SBB005950
Role
alias
Source
TCMBank
Preferred
No
Name
SBI-0051443.P003
Role
alias
Source
TCMBank
Preferred
No
Name
SC-13812
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL19168
Role
alias
Source
TCMBank
Preferred
No
Name
SDCCGMLS-0042377.P002
Role
alias
Source
TCMBank
Preferred
No
Name
SMR000071170
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_001004
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_002557
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM1500400
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000629727
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000629727-2
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000629727-4
Role
alias
Source
TCMBank
Preferred
No
Name
ST041029
Role
alias
Source
TCMBank
Preferred
No
Name
ST24045871
Role
alias
Source
TCMBank
Preferred
No
Name
STK735539
Role
alias
Source
TCMBank
Preferred
No
Name
STOCK1N-03091
Role
alias
Source
TCMBank
Preferred
No
Name
Sanofi Synthelabo Brand of Methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_001052
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_000499
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_000052
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_001891
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_001023
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_110432
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_110432_1
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_201767
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_302816
Role
alias
Source
TCMBank
Preferred
No
Name
U4VJ29L7BQ
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-U4VJ29L7BQ
Role
alias
Source
TCMBank
Preferred
No
Name
UVADEX (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Ultramop
Role
alias
Source
TCMBank
Preferred
No
Name
Ultramop Lotion
Role
alias
Source
TCMBank
Preferred
No
Name
Uvadex
Role
alias
Source
TCMBank
Preferred
No
Name
Vitpso
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T C566 DO LVOJ BO1
Role
alias
Source
TCMBank
Preferred
No
Name
X0009
Role
alias
Source
TCMBank
Preferred
No
Name
XANTHOTOXIN
Role
alias
Source
itcmdb_public
Preferred
No
Name
XANTHOTOXIN
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthotoxin
Role
alias
Source
TCMBank
Preferred
No
Name
Xanthotoxin, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
Xanthotoxine
Role
alias
Source
HERB_v2
Preferred
No
Name
Xanthotoxine
Role
alias
Source
TCMBank
Preferred
No
Name
Xanthotoxine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Z1258578369
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00381730
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC2548959
Role
alias
Source
TCMBank
Preferred
No
Name
Zanthotoxin
Role
alias
Source
TCMBank
Preferred
No
Name
an 8-methoxyfurocoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
methoxsalen
Role
alias
Source
HERB_v2
Preferred
No
Name
methoxsalen
Role
alias
Source
TCMBank
Preferred
No
Name
methoxsalen
Role
alias
Source
itcmdb_public
Preferred
No
Name
s1952
Role
alias
Source
TCMBank
Preferred
No
Name
xanthotoxin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
蛇床子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Cnidium monnieri
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
20.解毒杀虫燥湿止痒药(8-8)
Role
level1_name
Source
TCMBank
Preferred
No
Name
parasites destroying
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
白芷;奥帕草;白花前胡;补骨脂;朝鲜当归;大阿米;独活;防风;杭白芷;欧防风;蛇床子;药用当归;圆当归;云南羌活
Role
TCM_name
Source
TCMBank
Preferred
No
Name
AO PA CAO; BAI HUA QIAN HU; BU GU ZHI; CHAO XIAN DANG GUI; DA A MI; DU HUO;HANG BAI ZHI; OU FANG FENG; SHE CHUANG ZI; YAO YONG DANG GUI; YUAN DANG GUI; YUN NANQIANG HUO; BU GU ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Angelica dahurica;Whiteflower Hogfennel; Malaytea Scurfpea; Gigantic Angelica; Big Ammi; DoubIeteethPubescent AngeIica; Saposhnikovia divaricata; Taiwan Angelica; Garden Parsnip ; CommonCnidium; Medicinal Angelica*; Angelica; Yunnan Pleurospermum ; Malaytea Scurfpea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.发散风寒药(16-16)
Role
level2_name
Source
TCMBank
Preferred
No
Name
wind-cold-dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
10-32-212692-94-3298-81-7298M8174CN-09345-19-06-00015 (Beilstein Handbook Reference)5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone5-Demethoxyisoimpinellin6-Hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone7-Furocoumarin7H-Furo[3, 9-methoxy-7H-Furo[3,2-g][1]benzopyran-7-one, 9-methoxy-8-METHOXYPSORALEN + UVA (SEE ALSO C55903)8-MOP8-MOP Capsules8-MP8-Methoxy8-Methoxy-2',3',6,7-furocoumarin8-Methoxy-2',6,7-furocoumarin8-Methoxy-4',5',6,7-furocoumarin8-Methoxy-4',6,7-furocoumarin8-Methoxy-6,7-furanocoumarin8-Methoxyfuranocoumarin8-Methoxypsoralen8-Methoxypsoralen with ultraviolet A therapy8-Methoxypsoralen, analytical standard8-Methoxypsoralene8-methoxy-[furano-3''.2'':6.7-coumarin]8-methoxyfuranocoumarins8-methoxyfurocoumarins8MO9-(methyloxy)-7H-furo[3,2-g]chromen-7-one9-METHOXY-2H-FURO[3,2-G]CHROMEN-2-ONE9-Methoxy-7H-furo[3,2-g][1]benzopyran-7-one9-Methoxy-7H-furo[3,2-g]chromen-7-one9-Methoxy-7H-furo[3,2-g]chromen-7-one #9-Methoxyfuro(3,2-g)chromen-7-one9-Methoxyfuro[3,2-g][1]benzopyran-7-one9-Methoxypsoralen9-metho xy-7H-furo(3,2-g)benzopyran-7-one9-methoxy-7-furo[3,2-g]chromenone9-methoxyfurano[3,2-g]chromen-2-oneA1783/0075596AB00052042-14AB00052042-15AB00052042_16AB00052042_17AB2000388AC-4259AC1L1HFYACon1_000174AIDS001590AJ-39565AK111265AKOS000277012AM84906AN-12178API0008254AX8020056AmmodinAmmoidinBC204608BC4157549BDBM50041234BG00605120BG01521511BG0479BPBio1_000680BRD-K63430059-001-03-2BRD-K63430059-001-06-5BRN 0196453BSPBio_000618BSPBio_001997Boehringer Ingelheim Brand of MethoxsalenC-11618C01864CAS-298-81-7CC-30277CCG-36366CCRIS 2083CHEBI:18358CHEMBL416CM-131CPD000071170CS-1983Canderm Brand of MethoxsalenChinoin Brand of MethoxsalenD00139D08SKHDB Brand of MethoxsalenDB00553DRG-0088DS-5159DSSTox_CID_830DSSTox_GSID_20830DSSTox_RID_75816DTXSID8020830Delta Brand of MethoxsalenDeltapsoralenDeltasoralenDermatech Brand of MethoxsalenDermoxDivK1c_000763DltasoralenEINECS 206-066-9EN300-52504FT-0082222FT-0602101GP5578Galderma Brand of MethoxsalenGeroxalenHMS1569O20HMS1920N05HMS2091D20HMS2096O20HMS2269P03HMS3259L13HMS3655B05HMS502G05HSDB 2505HY-30151I06-0695ICN Brand 1 of MethoxsalenICN Brand 2 of MethoxsalenICN Brand 3 of MethoxsalenIDI1_000763J10204JC10026Jsp005650KBio1_000763KBio2_001503KBio2_004071KBio2_006639KBio3_001497KBioGR_000543KBioSS_001503KS-00000J91LS-68M3501_SIALMCULE-2500932325MEGxp0_000095MFCD00005009MLS000062633MLS002303011MeladininMeladinin (VAN)MeladininaMeladinineMeladoxenMeloxineMethoxa-DomeMethoxalenMethoxatenMethoxsalen (JP15/USP)Methoxsalen (JP17/USP)Methoxsalen (Oxsoralen)Methoxsalen Canderm BrandMethoxsalen Chinoin BrandMethoxsalen Delta BrandMethoxsalen Dermatech BrandMethoxsalen Mex-America BrandMethoxsalen Sanofi-Synthelabo BrandMethoxsalen [BAN:JAN]Methoxsalen [USP:BAN:JAN]Methoxsalen plus ultraviolet radiationMethoxsalen with ultra-violet A theraphyMethoxsalen, 8-Methoxsalen, United States Pharmacopeia (USP) Reference StandardMethoxsaleneMethoxy-8-psoralenMetoxalenoMex-America Brand of MethoxsalenMolPort-000-696-480N1305NC00652NCGC00016418-01NCGC00016418-02NCGC00016418-03NCGC00016418-04NCGC00016418-05NCGC00016418-06NCGC00016418-07NCGC00016418-08NCGC00016418-09NCGC00016418-10NCGC00016418-11NCGC00016418-12NCGC00016418-14NCGC00016418-15NCGC00060938-02NCGC00060938-03NCGC00060938-04NCGC00060938-05NCGC00060938-06NCGC00178871-01NCGC00178871-02NCGC00178871-03NCGC00256435-01NCGC00259316-01NCI-C55903NCI60_004085NINDS_000763NSC 45923NSC757114New-MeladininO-methylxanthotoxolOXSORALEN (TN)Oprea1_166319OxoralenOxsoralenOxsoralen UltraOxsoralen lotionOxypsoralenPharmakon1600-01500400Prestwick0_000479Prestwick1_000479Prestwick2_000479Prestwick3_000479Prestwick_661Proralone-mopPsoralen-mopPsoralon-MOPPuvalenPuvametQ-100381Q039QXKHYNVANLEOEG-UHFFFAOYSA-NSAM002548974SAM002564221SBB005950SBI-0051443.P003SC-13812SCHEMBL19168SDCCGMLS-0042377.P002SMR000071170SPBio_001004SPBio_002557SPECTRUM1500400SR-01000629727SR-01000629727-2SR-01000629727-4ST041029ST24045871STK735539STOCK1N-03091Sanofi Synthelabo Brand of MethoxsalenSpectrum2_001052Spectrum3_000499Spectrum4_000052Spectrum5_001891Spectrum_001023Tox21_110432Tox21_110432_1Tox21_201767Tox21_302816U4VJ29L7BQUNII-U4VJ29L7BQUVADEX (TN)UltramopUltramop LotionVitpsoWLN: T C566 DO LVOJ BO1X0009XANTHOTOXINXanthotoxin, analytical standardXanthotoxineZ1258578369ZINC00381730ZINC2548959Zanthotoxinan 8-methoxyfurocoumarinmethoxsalens1952蛇床子Cnidium monnieri20.解毒杀虫燥湿止痒药(8-8)parasites destroying白芷;奥帕草;白花前胡;补骨脂;朝鲜当归;大阿米;独活;防风;杭白芷;欧防风;蛇床子;药用当归;圆当归;云南羌活AO PA CAO; BAI HUA QIAN HU; BU GU ZHI; CHAO XIAN DANG GUI; DA A MI; DU HUO;HANG BAI ZHI; OU FANG FENG; SHE CHUANG ZI; YAO YONG DANG GUI; YUAN DANG GUI; YUN NANQIANG HUO; BU GU ZHIAngelica dahurica;Whiteflower Hogfennel; Malaytea Scurfpea; Gigantic Angelica; Big Ammi; DoubIeteethPubescent AngeIica; Saposhnikovia divaricata; Taiwan Angelica; Garden Parsnip ; CommonCnidium; Medicinal Angelica*; Angelica; Yunnan Pleurospermum ; Malaytea Scurfpea1.解表药(28-28)exterior-releasing medicinal1.发散风寒药(16-16)wind-cold-dispersing
Cross References
Trusted external identifiers retained for this final record.
Cas
12692-94-3298-81-7
Hit
C0214
Herb
HBIN013820HBIN047654HBIN048463
Npass
NPC33320
Tcmid
2275829497
Tcmsp
MOL001953
Sym Map
SMIT01660SMIT04286
Tcm Id
1142511426114271142812148121491215012151121521229112292122931229412295122961419314194141951419614197141981419914200142011438914390143911476814769151061510715108151091511015111152411524215301153021545215453154541545515456154571609217403175031750417505175061750717508175091751017511175121751319241192421924319244192451924619247192482131521316213172504593
Pub Chem
4114
Tcmbank
TCMBANKIN061689TCMBANKIN023248TCMBANKIN052058
Drug Bank
DB00553
Itcmdb Generated
ITX-INGREDIENT-A91D45ACE9D8ITX-INGREDIENT-99CA11C7D437
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.75
Jx
2.27606
Jy
2.41285
Bic
0.80751
Cic
0.25
Phi
1.92166
Sic
0.9375
Log D
2.187
Sc 0
16
Sc 1
18
Sc 2
26
Type
Other ingredients
Alog P
2.187
Chi 0
11.121
Chi 1
7.79202
Chi 2
7.0048
In Ch I
InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
Mol Wt
216.192
Pmi X
70.261
Cas Id
12692-94-3298-81-7
Energy
45.09
Sc 3 C
6
Sc 3 P
37
Smiles
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
Zagreb
88
37 Flag
37
Chi 3 C
1.03025
Chi 3 P
6.20495
Chi V 0
8.51974
Chi V 1
4.77461
Chi V 2
3.42154
C Count
12
Kappa 1
11.1111
Kappa 2
4.34911
Kappa 3
1.86121
Mol Log P
2.547800000000001
N Count
0
O Count
4
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
56.928
Chi 3 Ch
0
Dipole X
-2.88678
Dipole Y
0.21429
Dipole Z
0.00011
Iac Mean
1.45914
In Ch Ikey
QXKHYNVANLEOEG-UHFFFAOYSA-N
Is Chiral
0
Ob Score
35.2955537635.29555435.296
Suppress
0
Tcm Name
蛇床子
Admet Bbb
-0.233
Chi V 3 C
0.36787
Chi V 3 P
2.48708
Es Sum D O
11.173
Es Sum T N
0
E Adj Equ
205.899
E Adj Mag
296.423
Hba Count
4
Hbd Count
0
Iac Total
35.0196
Jurs Rasa
0.72006
Jurs Rncg
0.26305
Jurs Rncs
4.34052
Jurs Rpcg
0.36491
Jurs Rpcs
3.70172
Jurs Rpsa
0.27993
Jurs Sasa
361.584
Jurs Tasa
260.365
Jurs Tpsa
101.218
Num Atoms
16
Num Bonds
18
Num Rings
3
Shadow Xy
59.8387
Shadow Xz
31.1129
Shadow Yz
22.783
Shadow Nu
3.29208
Tcm Name2
AO PA CAO; BAI HUA QIAN HU; BU GU ZHI; CHAO XIAN DANG GUI; DA A MI; DU HUO;HANG BAI ZHI; OU FANG FENG; SHE CHUANG ZI; YAO YONG DANG GUI; YUAN DANG GUI; YUN NANQIANG HUO; BU GU ZHI
V Adj Equ
149.984
V Adj Mag
186.117
Mol2 Path
/TCM_database/20.解毒杀虫燥湿止痒药(8-8)/蛇床子/3D/xanthotoxin.mol2
Chi V 3 Ch
0
Dipole Mag
2.89471
Es Sum Aa N
0
Es Sum Aa O
5.3
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
0
Es Sum Ss O
10.348
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
9.32563
Kappa 2 Am
3.29699
Kappa 3 Am
1.31648
Num Hdonors
0
Num Chains
2
Num Rings3
0
Num Rings4
0
Num Rings5
1
Num Rings6
2
Num Rings7
0
Num Rings8
0
Es Count D O
1
Es Count T N
0
Es Sum Aa Ch
5.297
Es Sum Aa Nh
0
Es Sum Aaa C
1.502
Es Sum Aas C
1.678
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
3.087
Es Sum Dss C
-0.406
Es Sum S Ch3
1.517
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-10.4045
Jurs Dpsa 3
40.1574
Jurs Fnsa 1
0.51438
Jurs Fnsa 2
-0.6727
Jurs Fnsa 3
-0.08182
Jurs Fpsa 1
0.48561
Jurs Fpsa 2
0.38664
Jurs Fpsa 3
0.02924
Jurs Pnsa 1
185.994
Jurs Pnsa 2
-243.237
Jurs Pnsa 3
-29.5824
Jurs Ppsa 1
175.59
Jurs Ppsa 3
10.5751
Jurs Wnsa 1
67.2524
Jurs Wnsa 2
-87.9504
Jurs Wnsa 3
-10.6965
Jurs Wpsa 1
63.4903
Jurs Wpsa 3
3.82378
Num Pi Bonds
0
Tcm Name En
Cnidium monnieri
Level1 Name
20.解毒杀虫燥湿止痒药(8-8)
Level2 Name
1.发散风寒药(16-16)
Admet Psa 2 D
47.715
Es Count Aa N
0
Es Count Aa O
1
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
0
Es Count Ss O
2
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
4
Num H Donors
0
Admet Alog P98
2.187
Admet Ext Ppb
-10.9604
Drug Likeness
0.586
Es Count Aa Ch
3
Es Count Aa Nh
0
Es Count Aaa C
2
Es Count Aas C
3
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
2
Es Count Dss C
1
Es Count S Ch3
1
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
4
Num Fragments
1
Num Hydrogens
8
Num Ring Bonds
15
Organic Count
16
Rad Of Gyration
2.60289
Shadow Xyfrac
0.63289
Shadow Xzfrac
0.81746
Shadow Yzfrac
0.79328
Strain Energy
24.34
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
216.042
Molecular Sasa
378.314
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
11.1937
Shadow Ylength
8.44659
Shadow Zlength
3.40017
Level1 Name En
parasites destroying
Level2 Name En
wind-cold-dispersing
Admet Bbb Level
2
Isomeric Smiles
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
Molecular Savol
339.225
Molecule Weight
216.2
Num Atom Classes
16
Num Bridge Bonds
0
Num H Acceptors
3
Num Repeat Units
0
Admet Ext Cyp2 D6
-5.94692
Admet Solubility
-3.695
Canonical Smiles
COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
Herb Alias Names
methoxsalen8-Methoxypsoralen298-81-7XANTHOTOXINMeladinineOxypsoralen8-MOP9-Methoxy-7H-furo[3,2-g]chromen-7-oneOxsoralenXanthotoxine
Minimized Energy
20.75
Molecular Volume
155.37
Molecular Weight
216.19
Molecule Formula
C12H8O4
Num Macro Chains
0
Molecular Formula
C12H8O4
Molecular Formula
C12H8O4
Num Rotatable Bonds
1
Num Aromatic Bonds
10
Num Aromatic Rings
2
Num Explicit Atoms
16
Num Explicit Bonds
18
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
1
Molecular Polar Sasa
72.2907
Num Bridge Head Atoms
0
Num Chain Assemblies
2
Num Meso Stereo Atoms
0
Molecular Solubility
-3.047
Admet Ext Hepatotoxic
-0.983161
Admet Unknown Alog P98
0
Molecular Surface Area
203.83
Num Explicit Hydrogens
0
Num H Donors Lipinski
0
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
3
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
4
Molecular Polar Surface Area
48.67
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.191
Admet Ext Ppb Applicability#Md
11.2361
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
14.8321
Admet Ext Ppb Applicability#Mdpvalue
0.366718
Molecular Fractional Polar Surface Area
0.238
Admet Ext Hepatotoxic Applicability#Md
10.221
Admet Ext Cyp2 D6 Applicability#Mdpvalue
3e-06
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.054473