Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 5Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25473
- Core Entity Id
- 31508
- Source Entity Count
- 1
- Preferred Name
- (+)-mahanimbine
- Name En
- Pubchem Id
- 167963
- Smiles Canonical
- CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42
- Molecular Formula
- C23H25NO
- Molecular Weight
- 331.4590
- Inchikey
- HTNVFUBCWIYPJN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3
- Isomeric Smiles
- CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42
- Cas Id
- Ob Score
- Mol Logp
- 6.5402
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-Mahanimbine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(+)-Mahanimbine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-mahanimbine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-mahanimbine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-mahanimbine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
21104-28-9
Role
alias
Source
HERB_v2
Preferred
No
Name
21104-28-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
24948-14-9
Role
alias
Source
HERB_v2
Preferred
No
Name
24948-14-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano[3,2-a]carbazole
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano[3,2-a]carbazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6646
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6646
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mahanimbine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mahanimbine
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC186884
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC186884
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pyrano(3,2-a)carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)-, (+)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pyrano(3,2-a)carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)-, (+)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Rel-(+)-Mahanimbine
Role
alias
Source
HERB_v2
Preferred
No
Name
Rel-(+)-Mahanimbine
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
21104-28-924948-14-93,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano[3,2-a]carbazole3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazoleCHEBI:6646MahanimbineNSC186884Pyrano(3,2-a)carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)-, (+)-Rel-(+)-Mahanimbine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034262
Npass
NPC205934
Tcmid
13391
Sym Map
SMIT19636
Pub Chem
167963
Tcmbank
TCMBANKIN023602
Etcm Ingredient
(+)-Mahanimbine
Itcmdb Generated
ITX-INGREDIENT-8EE8BD230E34ITX-INGREDIENT-9A28CC9AA42D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3
Mol Wt
331.4590000000001
Smiles
CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42
Mol Log P
6.540220000000005
Version
v2
In Ch Ikey
HTNVFUBCWIYPJN-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.541
Num Hacceptors
1
Isomeric Smiles
CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42
Canonical Smiles
CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42
Herb Alias Names
Mahanimbine21104-28-9CHEBI:6646Rel-(+)-Mahanimbine3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole3,5-dimethyl-3-(4-methylpent-3-en-1-yl)-3,11-dihydropyrano[3,2-a]carbazoleNSC186884Pyrano(3,2-a)carbazole, 3,11-dihydro-3,5-dimethyl-3-(4-methyl-3-pentenyl)-, (+)-24948-14-9
Molecular Weight
331.190
Molecular Weight
331.4 g/mol
Molecular Formula
C23H25NO
Molecular Formula
C23H25NO
Molecular Formula
C23H25NO
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.900
Quantitative Estimate Of Drug Likeness（Qed）
0.541