Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34196
- Core Entity Id
- 41205
- Source Entity Count
- 1
- Preferred Name
- Sugikurojin g
- Name En
- Pubchem Id
- 11562492
- Smiles Canonical
- CC(C)C1CCC(C2C1C=C(CC2)CC3CC4C(CCCC4(C5=CC(=C(C=C35)C(C)C)O)C)(C)C)(C)O
- Molecular Formula
- C35H54O2
- Molecular Weight
- 506.8150
- Inchikey
- ZBJRPMGEEOSMIM-IKCQQGRZSA-N
- Inchi
- InChI=1S/C35H54O2/c1-21(2)25-12-15-35(8,37)29-11-10-23(17-28(25)29)16-24-18-32-33(5,6)13-9-14-34(32,7)30-20-31(36)26(22(3)4)19-27(24)30/h17,19-22,24-25,28-29,32,36-37H,9-16,18H2,1-8H3/t24-,25+,28+,29-,32+,34-,35-/m1/s1
- Isomeric Smiles
- CC(C)[C@@H]1CC[C@@]([C@H]2[C@H]1C=C(CC2)C[C@@H]3C[C@@H]4[C@](CCCC4(C)C)(C5=CC(=C(C=C35)C(C)C)O)C)(C)O
- Cas Id
- Ob Score
- Mol Logp
- 9.2466
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.3990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sugikurojin G
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sugikurojin G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sugikurojin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sugikurojin g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
日本柳杉
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN LIU SHAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Cedar
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(4bS,8aS,10S)-10-[[(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4bS,8aS,10S)-10-[[(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465221
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465221
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ferrugicadinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ferrugicadinol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本柳杉RI BEN LIU SHANJapanese Cedar(4bS,8aS,10S)-10-[[(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-olCHEMBL465221Ferrugicadinol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045113
Npass
NPC93071
Tcmid
20447
Pub Chem
11562492
Tcmbank
TCMBANKIN043369
Etcm Ingredient
Sugikurojin G
Itcmdb Generated
ITX-INGREDIENT-5B227D41B29C
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C35H54O2/c1-21(2)25-12-15-35(8,37)29-11-10-23(17-28(25)29)16-24-18-32-33(5,6)13-9-14-34(32,7)30-20-31(36)26(22(3)4)19-27(24)30/h17,19-22,24-25,28-29,32,36-37H,9-16,18H2,1-8H3/t24-,25+,28+,29-,32+,34-,35-/m1/s1
Mol Wt
506.8150000000003
Mol Log P
9.246599999999999
In Ch Ikey
ZBJRPMGEEOSMIM-IKCQQGRZSA-N
Tcm Name
日本柳杉
Tcm Name2
RI BEN LIU SHAN
Mol2 Path
/TCM_database/2007_3d_all/20463.mol2
Reference
1710
Num Hdonors
2
Tcm Name En
Japanese Cedar
Drug Likeness
0.399
Num Hacceptors
2
Isomeric Smiles
CC(C)[C@@H]1CC[C@@]([C@H]2[C@H]1C=C(CC2)C[C@@H]3C[C@@H]4[C@](CCCC4(C)C)(C5=CC(=C(C=C35)C(C)C)O)C)(C)O
Canonical Smiles
CC(C)C1CCC(C2C1C=C(CC2)CC3CC4C(CCCC4(C5=CC(=C(C=C35)C(C)C)O)C)(C)C)(C)O
Herb Alias Names
Ferrugicadinol(4bS,8aS,10S)-10-[[(4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol(4bS,8aS,10S)-10-(((4aR,5R,8S,8aR)-5-hydroxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl)methyl)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-olCHEMBL465221
Molecular Weight
506.410
Molecular Weight
506.8 g/mol
Molecular Formula
C35H54O2
Molecular Formula
C35H54O2
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.927
Quantitative Estimate Of Drug Likeness（Qed）
0.399