Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 8Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 20725
- Core Entity Id
- 26218
- Source Entity Count
- 1
- Preferred Name
- Green oil
- Name En
- Pubchem Id
- 8418
- Smiles Canonical
- C1=CC=C2C=C3C=CC=CC3=CC2=C1
- Molecular Formula
- C14H10
- Molecular Weight
- 178.2340
- Inchikey
- MWPLVEDNUUSJAV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
- Isomeric Smiles
- C1=CC=C2C=C3C=CC=CC3=CC2=C1
- Cas Id
- 120-12-7
- Ob Score
- 17.7370
- Mol Logp
- 3.9930
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4560
- Polar Surface Area
- 0.0000
- Molecular Volume
- 136.5100
- Alogp
- 3.6460
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Green Oil
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Green oil
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Green oil
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Paranapthalene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Paranapthalene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
paranapthalene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
120-12-7
Role
alias
Source
HERB_v2
Preferred
No
Name
120-12-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
ANTHRACENE
Role
alias
Source
HERB_v2
Preferred
No
Name
ANTHRACENE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthracen
Role
alias
Source
HERB_v2
Preferred
No
Name
Anthracen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthracen [German]
Role
alias
Source
HERB_v2
Preferred
No
Name
Anthracen [German]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthracene, pure
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthracene, pure
Role
alias
Source
HERB_v2
Preferred
No
Name
Anthracin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthracin
Role
alias
Source
HERB_v2
Preferred
No
Name
Anthrazen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthrazen
Role
alias
Source
HERB_v2
Preferred
No
Name
CCRIS 767
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 767
Role
alias
Source
HERB_v2
Preferred
No
Name
Paranaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
Paranaphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetra Olive N2G
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetra Olive N2G
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthracene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
anthracene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
鱼腥草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Houttuynia cordata
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(9,10-Dihydroanthracene-9,10-diyl)
Role
alias
Source
TCMBank
Preferred
No
Name
1-anthryl
Role
alias
Source
TCMBank
Preferred
No
Name
10580_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
141062_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
2-anthryl
Role
alias
Source
TCMBank
Preferred
No
Name
27735-76-8
Role
alias
Source
TCMBank
Preferred
No
Name
27735-77-9
Role
alias
Source
TCMBank
Preferred
No
Name
331481_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
40076_SUPELCO
Role
alias
Source
TCMBank
Preferred
No
Name
46051_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
48567_SUPELCO
Role
alias
Source
TCMBank
Preferred
No
Name
48647_SUPELCO
Role
alias
Source
TCMBank
Preferred
No
Name
54261-80-2
Role
alias
Source
TCMBank
Preferred
No
Name
61062-81-5
Role
alias
Source
TCMBank
Preferred
No
Name
A0405
Role
alias
Source
TCMBank
Preferred
No
Name
A0495
Role
alias
Source
TCMBank
Preferred
No
Name
A0992
Role
alias
Source
TCMBank
Preferred
No
Name
A804437
Role
alias
Source
TCMBank
Preferred
No
Name
A89200_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
AB1002596
Role
alias
Source
TCMBank
Preferred
No
Name
AC-5799
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1QYH
Role
alias
Source
TCMBank
Preferred
No
Name
ACMC-1C338
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-00155
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-27544
Role
alias
Source
TCMBank
Preferred
No
Name
AK157086
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS000119970
Role
alias
Source
TCMBank
Preferred
No
Name
AN-10591
Role
alias
Source
TCMBank
Preferred
No
Name
AN3
Role
alias
Source
TCMBank
Preferred
No
Name
ANTHRACENE, SCINTILLATOR
Role
alias
Source
TCMBank
Preferred
No
Name
ANTHRACENE- D10
Role
alias
Source
TCMBank
Preferred
No
Name
ANW-17457
Role
alias
Source
TCMBank
Preferred
No
Name
AS-14635
Role
alias
Source
TCMBank
Preferred
No
Name
Acen
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene 10 microg/mL in Acetonitrile
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene 10 microg/mL in Cyclohexane
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene 100 microg/mL in Acetonitrile
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene oil
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene oil (coal tar fraction)
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene solution
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene solution, certified reference material, 1000 mug/mL in acetone
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene solution, certified reference material, 200 mug/mL in methanol
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene, ReagentPlus(R), 99%
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene, certified reference material, TraceCERT(R)
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene, labeled with deuterium
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene, puriss., 99.0%
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene, reagent grade, 97%
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene, sublimed grade, >=99%
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene, suitable for scintillation, >=99.0% (GC)
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene, vial of 250 mg, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
Anthracene, zone-refined, >=99%
Role
alias
Source
TCMBank
Preferred
No
Name
Anthraxcene
Role
alias
Source
TCMBank
Preferred
No
Name
Azen
Role
alias
Source
TCMBank
Preferred
No
Name
BBL005251
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50060894
Role
alias
Source
TCMBank
Preferred
No
Name
Bis-alkylamino anthracene
Role
alias
Source
TCMBank
Preferred
No
Name
C14315
Role
alias
Source
TCMBank
Preferred
No
Name
CAS-120-12-7
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:35297
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:35298
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL333179
Role
alias
Source
TCMBank
Preferred
No
Name
CTK0H4820
Role
alias
Source
TCMBank
Preferred
No
Name
Coal tar pitch volatiles: anthracene
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_CID_3878
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_GSID_23878
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_RID_77216
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID0023878
Role
alias
Source
TCMBank
Preferred
No
Name
Deuterated anthracene
Role
alias
Source
TCMBank
Preferred
No
Name
EC 204-371-1
Role
alias
Source
TCMBank
Preferred
No
Name
EH46A1TLD7
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 204-371-1
Role
alias
Source
TCMBank
Preferred
No
Name
Epitope ID:119716
Role
alias
Source
TCMBank
Preferred
No
Name
F0001-0328
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0622409
Role
alias
Source
TCMBank
Preferred
No
Name
H2412
Role
alias
Source
TCMBank
Preferred
No
Name
HRACENE
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 702
Role
alias
Source
TCMBank
Preferred
No
Name
I14-0862
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10
Role
alias
Source
TCMBank
Preferred
No
Name
J-200085
Role
alias
Source
TCMBank
Preferred
No
Name
J3.643.785E
Role
alias
Source
TCMBank
Preferred
No
Name
KB-74701
Role
alias
Source
TCMBank
Preferred
No
Name
KS-00000UYL
Role
alias
Source
TCMBank
Preferred
No
Name
KSC174Q2B
Role
alias
Source
TCMBank
Preferred
No
Name
L975
Role
alias
Source
TCMBank
Preferred
No
Name
LS-627
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-4141881437
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00001240
Role
alias
Source
TCMBank
Preferred
No
Name
MWPLVEDNUUSJAV-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-001-760-592
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00163972-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00163972-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00163972-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00254204-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00259775-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC7958
Role
alias
Source
TCMBank
Preferred
No
Name
Paranaphtalene
Role
alias
Source
TCMBank
Preferred
No
Name
PubChem22168
Role
alias
Source
TCMBank
Preferred
No
Name
RP23973
Role
alias
Source
TCMBank
Preferred
No
Name
RTR-003345
Role
alias
Source
TCMBank
Preferred
No
Name
SBB058663
Role
alias
Source
TCMBank
Preferred
No
Name
SC-47157
Role
alias
Source
TCMBank
Preferred
No
Name
ST093055
Role
alias
Source
TCMBank
Preferred
No
Name
ST24045970
Role
alias
Source
TCMBank
Preferred
No
Name
STK398386
Role
alias
Source
TCMBank
Preferred
No
Name
Sterilite hop defoliant
Role
alias
Source
TCMBank
Preferred
No
Name
TL8000534
Role
alias
Source
TCMBank
Preferred
No
Name
TR-003345
Role
alias
Source
TCMBank
Preferred
No
Name
Tetraoliven2G
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_202226
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_300014
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-0TNN3Q0D4D component MWPLVEDNUUSJAV-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-EH46A1TLD7
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: L C666J
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC1586329
Role
alias
Source
TCMBank
Preferred
No
Name
acene
Role
alias
Source
TCMBank
Preferred
No
Name
acenes
Role
alias
Source
TCMBank
Preferred
No
Name
anthracen-9-yl
Role
alias
Source
TCMBank
Preferred
No
Name
c0991
Role
alias
Source
TCMBank
Preferred
No
Name
p-Naphthalene
Role
alias
Source
TCMBank
Preferred
No
Name
paranaphthalene, anthracin, anthraxcene, green oil, tetra olive n2g
Role
alias
Source
TCMBank
Preferred
No
Name
polyacenes
Role
alias
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Paranapthalene120-12-7ANTHRACENEAnthracenAnthracen [German]Anthracene, pureAnthracinAnthrazenCCRIS 767ParanaphthaleneTetra Olive N2G鱼腥草Houttuynia cordata(9,10-Dihydroanthracene-9,10-diyl)1-anthryl10580_FLUKA141062_SIAL2-anthryl27735-76-827735-77-9331481_ALDRICH40076_SUPELCO46051_RIEDEL48567_SUPELCO48647_SUPELCO54261-80-261062-81-5A0405A0495A0992A804437A89200_ALDRICHAB1002596AC-5799AC1L1QYHACMC-1C338AI3-00155AJ-27544AK157086AKOS000119970AN-10591AN3ANTHRACENE, SCINTILLATORANTHRACENE- D10ANW-17457AS-14635AcenAnthracene 10 microg/mL in AcetonitrileAnthracene 10 microg/mL in CyclohexaneAnthracene 100 microg/mL in AcetonitrileAnthracene oilAnthracene oil (coal tar fraction)Anthracene solutionAnthracene solution, certified reference material, 1000 mug/mL in acetoneAnthracene solution, certified reference material, 200 mug/mL in methanolAnthracene, ReagentPlus(R), 99%Anthracene, analytical standardAnthracene, certified reference material, TraceCERT(R)Anthracene, labeled with deuteriumAnthracene, puriss., 99.0%Anthracene, reagent grade, 97%Anthracene, sublimed grade, >=99%Anthracene, suitable for scintillation, >=99.0% (GC)Anthracene, vial of 250 mg, analytical standardAnthracene, zone-refined, >=99%AnthraxceneAzenBBL005251BDBM50060894Bis-alkylamino anthraceneC14315CAS-120-12-7CHEBI:35297CHEBI:35298CHEMBL333179CTK0H4820Coal tar pitch volatiles: anthraceneDSSTox_CID_3878DSSTox_GSID_23878DSSTox_RID_77216DTXSID0023878Deuterated anthraceneEC 204-371-1EH46A1TLD7EINECS 204-371-1Epitope ID:119716F0001-0328FT-0622409H2412HRACENEHSDB 702I14-0862InChI=1/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10J-200085J3.643.785EKB-74701KS-00000UYLKSC174Q2BL975LS-627MCULE-4141881437MFCD00001240MWPLVEDNUUSJAV-UHFFFAOYSA-NMolPort-001-760-592NCGC00163972-01NCGC00163972-02NCGC00163972-03NCGC00254204-01NCGC00259775-01NSC7958ParanaphtalenePubChem22168RP23973RTR-003345SBB058663SC-47157ST093055ST24045970STK398386Sterilite hop defoliantTL8000534TR-003345Tetraoliven2GTox21_202226Tox21_300014UNII-0TNN3Q0D4D component MWPLVEDNUUSJAV-UHFFFAOYSA-NUNII-EH46A1TLD7WLN: L C666JZINC1586329aceneacenesanthracen-9-ylc0991p-Naphthaleneparanaphthalene, anthracin, anthraxcene, green oil, tetra olive n2gpolyacenes2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
120-12-7
Herb
HBIN028411HBIN038845HBIN016282
Npass
NPC258492
Tcmid
24436
Tcmsp
MOL005501
Sym Map
SMIT02135SMIT07249
Tcm Id
20266744
Pub Chem
8418
Tcmbank
TCMBANKIN022493TCMBANKIN006547TCMBANKIN058409
Etcm Ingredient
anthracene
Itcmdb Generated
ITX-INGREDIENT-3D19D89B74B6ITX-INGREDIENT-AC683F9D2E60
Attributes
Merged source attributes and domain-specific metadata.
Ic
1.95021
Jx
2.52373
Jy
2.52373
Bic
0.42534
Cic
1.85714
Phi
1.53866
Sic
0.51222
Log D
3.646
Sc 0
14
Sc 1
16
Sc 2
22
Type
Other ingredients
Alog P
3.646
Chi 0
9.38046
Chi 1
6.93265
Chi 2
6.08063
In Ch I
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
Mol Wt
178.234
Pmi X
32.3043
Cas Id
120-12-7
Energy
32.41
Sc 3 C
4
Sc 3 P
30
Smiles
C1=CC=C2C=C3C=CC=CC3=CC2=C1c1([H])c(c([H])c(c([H])c([H])c([H])c2[H])c2c3[H])c3c([H])c([H])c1[H]
Zagreb
76
37 Flag
37
Chi 3 C
0.66666
Chi 3 P
5.34399
Chi V 0
7.7735
Chi V 1
4.8094
Chi V 2
3.5465
C Count
14
Kappa 1
9.24218
Kappa 2
3.86776
Kappa 3
1.75999
Mol Log P
3.993000000000002
N Count
0
O Count
0
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
58.958
Chi 3 Ch
0
Dipole X
-1e-05
Dipole Y
0
Dipole Z
0
Iac Mean
0.97986
In Ch Ikey
MWPLVEDNUUSJAV-UHFFFAOYSA-N
Is Chiral
0
Ob Score
17.73717.73740163
Suppress
0
Tcm Name
鱼腥草
Admet Bbb
0.973
Chi V 3 C
0.33333
Chi V 3 P
2.61403
Es Sum D O
0
Es Sum T N
0
E Adj Equ
169.466
E Adj Mag
240.215
Hba Count
0
Hbd Count
0
Iac Total
23.5168
Jurs Rasa
1
Jurs Rncg
0.09814
Jurs Rncs
3.38982
Jurs Rpcg
0
Jurs Rpcs
0
Jurs Rpsa
0
Jurs Sasa
336.204
Jurs Tasa
336.204
Jurs Tpsa
0
Num Atoms
14
Num Bonds
16
Num Rings
3
Shadow Xy
53.4359
Shadow Xz
29.5018
Shadow Yz
16.5682
Shadow Nu
3.13199
V Adj Equ
125.845
V Adj Mag
160
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/鱼腥草/structure/anthracene.mol2
Chi V 3 Ch
0
Dipole Mag
0
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
0
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
7.57143
Kappa 2 Am
2.84508
Kappa 3 Am
1.19799
Num Hdonors
0
Num Chains
0
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
3
Num Rings7
0
Num Rings8
0
Es Count D O
0
Es Count T N
0
Es Sum Aa Ch
21.421
Es Sum Aa Nh
0
Es Sum Aaa C
5.245
Es Sum Aas C
0
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
0
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-336.204
Jurs Dpsa 3
18.1229
Jurs Fnsa 1
1
Jurs Fnsa 2
-0.62741
Jurs Fnsa 3
-0.05391
Jurs Fpsa 1
0
Jurs Fpsa 2
0
Jurs Fpsa 3
0
Jurs Pnsa 1
336.204
Jurs Pnsa 2
-210.938
Jurs Pnsa 3
-18.1229
Jurs Ppsa 1
0
Jurs Ppsa 3
0
Jurs Wnsa 1
113.033
Jurs Wnsa 2
-70.9183
Jurs Wnsa 3
-6.093
Jurs Wpsa 1
0
Jurs Wpsa 3
0
Num Pi Bonds
0
Tcm Name En
Houttuynia cordata
Level1 Name
2.清热药(64-64)
Level2 Name
3.清热解毒药(30-30)
Admet Psa 2 D
0
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
0
Es Count Ss O
0
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
0
Num H Donors
0
Admet Alog P98
3.646
Admet Ext Ppb
0.869845
Drug Likeness
0.456
Es Count Aa Ch
10
Es Count Aa Nh
0
Es Count Aaa C
4
Es Count Aas C
0
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
0
Es Count S Ch3
0
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
0
Num Fragments
1
Num Hydrogens
10
Num Ring Bonds
16
Organic Count
14
Rad Of Gyration
2.39238
Shadow Xyfrac
0.80092
Shadow Xzfrac
0.81481
Shadow Yzfrac
0.77777
Strain Energy
34.81
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
178.078
Molecular Sasa
358.914
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
10.6489
Shadow Ylength
6.2652
Shadow Zlength
3.40004
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Admet Bbb Level
0
Isomeric Smiles
C1=CC=C2C=C3C=CC=CC3=CC2=C1
Molecular Savol
319.515
Molecule Weight
178.24
Num Atom Classes
4
Num Bridge Bonds
0
Num H Acceptors
0
Num Repeat Units
0
Admet Ext Cyp2 D6
-0.494868
Admet Solubility
-5.315
Canonical Smiles
C1=CC=C2C=C3C=CC=CC3=CC2=C1
Herb Alias Names
ANTHRACENE120-12-7ParanaphthaleneAnthracinTetra Olive N2GAnthracenAnthrazenAnthracene, pureAnthracen [German]CCRIS 767
Minimized Energy
-2.4
Molecular Weight
178.080
Molecular Volume
136.51
Molecular Weight
0
Molecule Formula
C14H10
Num Macro Chains
0
Molecular Formula
C14H10
Molecular Formula
C14H10
Molecular Formula
C14H10
Num Rotatable Bonds
0
Num Aromatic Bonds
16
Num Aromatic Rings
3
Num Explicit Atoms
14
Num Explicit Bonds
16
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
0
Molecular Polar Sasa
0
Num Bridge Head Atoms
0
Num Chain Assemblies
0
Num Meso Stereo Atoms
0
Molecular Solubility
-5.073
Admet Ext Hepatotoxic
1.76731
Admet Unknown Alog P98
0
Molecular Surface Area
176.71
Num Explicit Hydrogens
0
Num H Donors Lipinski
0
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
2
Admet Ext Ppb#Prediction
1
Num H Acceptors Lipinski
0
Molecular Polar Surface Area
0
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0
Admet Ext Ppb Applicability#Md
11.1963
Fda Maximum Daily Dose (Fdamdd)
0.848
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
11.4822
Admet Ext Ppb Applicability#Mdpvalue
0.386303
Molecular Fractional Polar Surface Area
0
Admet Ext Hepatotoxic Applicability#Md
11.1311
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.008693
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.004051
Quantitative Estimate Of Drug Likeness（Qed）
0.456