ITCMDBv1
IngredientID 27928

Normacusine b

C19H22N2O

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Herb: 4Ingredient: 1Links: 4
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
27928
Core Entity Id
34227
Source Entity Count
1
Preferred Name
Normacusine b
Name En
Pubchem Id
101297615
Smiles Canonical
CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)CO
Molecular Formula
C19H22N2O
Molecular Weight
294.3980
Inchikey
VXTDUGOBAOLMED-JBIYAAMQSA-N
Inchi
InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2+/t13-,15?,17-,18-/m0/s1
Isomeric Smiles
C/C=C/1\CN2[C@H]3C[C@@H]1C([C@@H]2CC4=C3NC5=CC=CC=C45)CO
Cas Id
Ob Score
Mol Logp
3.0240
Num H Donors
2
Num H Acceptors
2
Num Rotatable Bonds
1
Drug Likeness
0.7940
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Normacusine B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Normacusine B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Normacusine B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Normacusine B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Normacusine b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Normacusine b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
MA QAIN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
((6S,7R,10R,11aS,Z)-9-ethylidene-5,6,8,9,10,11,11a,12-octahydro-6,10-methanoindolo[3,2-b]quinolizin-11-yl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
((6S,7R,10R,11aS,Z)-9-ethylidene-5,6,8,9,10,11,11a,12-octahydro-6,10-methanoindolo[3,2-b]quinolizin-11-yl)methanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(19trans)-Sarpagan-17-ol #
Role
alias
Source
SymMap_v2
Preferred
No
Name
(19trans)-Sarpagan-17-ol #
Role
alias
Source
TCMBank
Preferred
No
Name
10-Deoxysarpagine
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-Deoxysarpagine
Role
alias
Source
HERB_v2
Preferred
No
Name
604-99-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
604-99-9
Role
alias
Source
HERB_v2
Preferred
No
Name
8RD788YSD2
Role
alias
Source
itcmdb_public
Preferred
No
Name
8RD788YSD2
Role
alias
Source
HERB_v2
Preferred
No
Name
Normacusine B
Role
alias
Source
TCMBank
Preferred
No
Name
Normacusine B
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sarpagan-17-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Sarpagan-17-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Sarpagan-17-ol
Role
alias
Source
TCMBank
Preferred
No
Name
Sarpagan-17-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tombozin
Role
alias
Source
HERB_v2
Preferred
No
Name
Tombozin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tombozine
Role
alias
Source
HERB_v2
Preferred
No
Name
Tombozine
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tombozine
Role
alias
Source
TCMBank
Preferred
No
Name
Tombozine
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-8RD788YSD2
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-8RD788YSD2
Role
alias
Source
itcmdb_public
Preferred
No
Name
VXTDUGOBAOLMED-BIIKFXOESA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
VXTDUGOBAOLMED-BIIKFXOESA-N
Role
alias
Source
TCMBank
Preferred
No
Name
Vellosiminol
Role
alias
Source
HERB_v2
Preferred
No
Name
Vellosiminol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Vellosiminol
Role
alias
Source
TCMBank
Preferred
No
Name
Vellosiminol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Koumidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
koumidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(16S,19Z)-Sarpagan-17-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1358-75-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL477697
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL4864210
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0996928
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID401312791
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N12576
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sarpagan-17-ol, (16S,19Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC101620892
Role
alias
Source
TCMBank
Preferred
No
Name
[(1S,12S,13S,14R,15Z)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

MA QAIN ZI((6S,7R,10R,11aS,Z)-9-ethylidene-5,6,8,9,10,11,11a,12-octahydro-6,10-methanoindolo[3,2-b]quinolizin-11-yl)methanol(19trans)-Sarpagan-17-ol #10-Deoxysarpagine604-99-98RD788YSD2Sarpagan-17-olTombozinTombozineUNII-8RD788YSD2VXTDUGOBAOLMED-BIIKFXOESA-NVellosiminolKoumidine(16S,19Z)-Sarpagan-17-ol1358-75-4CHEMBL477697CHEMBL4864210CS-0996928DTXSID401312791HY-N12576Sarpagan-17-ol, (16S,19Z)-ZINC101620892[(1S,12S,13S,14R,15Z)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN037362HBIN032278
Npass
NPC181706
Tcmid
1576612284
Sym Map
SMIT16919SMIT16204
Tcm Id
20442221723437
Pub Chem
1012976151046972253188451131243644584550
Tcmbank
TCMBANKIN041451TCMBANKIN009210
Etcm Ingredient
Normacusine BKoumidine
Itcmdb Generated
ITX-INGREDIENT-F6E8966FAA46ITX-INGREDIENT-3FB349FE49D1

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2+/t13-,15?,17-,18-/m0/s1
Mol Wt
294.398
Smiles
CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)CO
Mol Log P
3.024000000000001
Version
v1,v2
In Ch Ikey
VXTDUGOBAOLMED-JBIYAAMQSA-N
Suppress
0
Tcm Name2
MA QAIN ZI
Mol2 Path
/TCM_database/2007_3d_all/15775.mol2
Reference
2
Num Hdonors
2
Drug Likeness
0.794
Num Hacceptors
2
Isomeric Smiles
C/C=C/1\CN2[C@H]3C[C@@H]1C([C@@H]2CC4=C3NC5=CC=CC=C45)CO
Canonical Smiles
CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)CO
Herb Alias Names
Tombozin10-DeoxysarpagineSarpagan-17-olVellosiminolTombozineUNII-8RD788YSD28RD788YSD2604-99-9((6S,7R,10R,11aS,Z)-9-ethylidene-5,6,8,9,10,11,11a,12-octahydro-6,10-methanoindolo[3,2-b]quinolizin-11-yl)methanol
Molecular Weight
294.170
Molecular Weight
294.4 g/mol
Molecule Formula
C19H22N2O
Molecular Formula
C19H22N2O
Molecular Formula
C19H22N2O
Molecular Formula
C19H22N2O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.979
Quantitative Estimate Of Drug Likeness（Qed）
0.794