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
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15081
- Core Entity Id
- 19927
- Source Entity Count
- 1
- Preferred Name
- Conessidine
- Name En
- Pubchem Id
- 22214027
- Smiles Canonical
- CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)C=N1
- Molecular Formula
- C22H34N2
- Molecular Weight
- 326.5280
- Inchikey
- CHMBCKMSXBNZSX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H34N2/c1-14-18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24-14/h4,13-14,16-20,23H,5-12H2,1-3H3
- Isomeric Smiles
- CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)C=N1
- Cas Id
- Ob Score
- Mol Logp
- 4.6064
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Conessidine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Conessidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Conessidine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
conessidine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
23-Norcona-5,18(22)-dienin-3-amine, N-methyl-, (3.beta.)-
Role
alias
Source
HERB_v2
Preferred
No
Name
23-Norcona-5,18(22)-dienin-3-amine, N-methyl-, (3.beta.)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHMBCKMSXBNZSX-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHMBCKMSXBNZSX-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
J-523647
Role
alias
Source
itcmdb_public
Preferred
No
Name
J-523647
Role
alias
Source
HERB_v2
Preferred
No
Name
N,3,11a-Trimethyl-3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-tetradecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amine #
Role
alias
Source
HERB_v2
Preferred
No
Name
N,3,11a-Trimethyl-3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-tetradecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amine #
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Methyl-23-norcona-3,5-dienin-3-ylamine
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Methyl-23-norcona-3,5-dienin-3-ylamine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Norcona-N(18),5-dienine, 3.beta.-(methylamino)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Norcona-N(18),5-dienine, 3.beta.-(methylamino)-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
23-Norcona-5,18(22)-dienin-3-amine, N-methyl-, (3.beta.)-CHMBCKMSXBNZSX-UHFFFAOYSA-NJ-523647N,3,11a-Trimethyl-3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-tetradecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amine #N-Methyl-23-norcona-3,5-dienin-3-ylamineNorcona-N(18),5-dienine, 3.beta.-(methylamino)-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021340
Npass
NPC24733
Tcmid
3966
Pub Chem
22214027551151
Tcmbank
TCMBANKIN033409
Etcm Ingredient
Conessidine
Itcmdb Generated
ITX-INGREDIENT-546B82E8C79C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H34N2/c1-14-18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24-14/h4,13-14,16-20,23H,5-12H2,1-3H3
Mol Wt
326.528
Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)C=N1
Mol Log P
4.606400000000004
In Ch Ikey
CHMBCKMSXBNZSX-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.699
Num Hacceptors
2
Isomeric Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)C=N1
Canonical Smiles
CC1C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)NC)C)C=N1
Herb Alias Names
CHMBCKMSXBNZSX-UHFFFAOYSA-NN-Methyl-23-norcona-3,5-dienin-3-ylamineJ-523647Norcona-N(18),5-dienine, 3.beta.-(methylamino)-23-Norcona-5,18(22)-dienin-3-amine, N-methyl-, (3.beta.)-N,3,11a-Trimethyl-3a,4,5,5a,5b,6,8,9,10,11,11a,11b,12,13-tetradecahydro-3H-naphtho[2',1':4,5]indeno[1,7a-c]pyrrol-9-amine #
Molecular Weight
326.270
Molecular Weight
326.5 g/mol
Molecular Formula
C22H34N2
Molecular Formula
C22H34N2
Molecular Formula
C22H34N2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.930
Quantitative Estimate Of Drug Likeness（Qed）
0.699